4,5,6,7,8,9,10,11,12,13-Decahydrocyclododeca[d][1,3]thiazol-2-amine
Basic information
- CAS
31825-89-5- Standard SMILES
Nc1nc2c(s1)CCCCCCCCCC2- InChIKey
WMOHSPSQAUUNFP-UHFFFAOYSA-N- Molecular formula
- C13H22N2S
- Average molar mass
- 238.39 g/mol
- Monoisotopic mass
- 238.15036988
Names & identifiers
- Preferred name
- 4,5,6,7,8,9,10,11,12,13-Decahydrocyclododeca[d][1,3]thiazol-2-amine
- IUPAC
- 4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-amine
Names & synonyms
4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-amine31825-89-5MLS000769209MFCD01104408SMR0004339434,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d]thiazol-2-amine4,5,6,7,8,9,10,11,12,13-Decahydro-1-thia-3-aza-cyclopentacyclododecen-2-ylamine4H,5H,6H,7H,8H,9H,10H,11H,12H,13H-CYCLODODECA[D][1,3]THIAZOL-2-AMINEcyclododeca[d]thiazol-2-amine, 4,5,6,7,8,9,10,11,12,13-decahydro-cid_950890CHEMBL1481410REGID_for_CID_950890
Show more names
BDBM80522DTXSID601327962HMS2778E16ALBB-023500BBL018829STK725157AKOS005525078VS-06786
Database identifiers
- CAS
31825-89-5- PubChem CID
- 950890
- DTXSID
DTXSID601327962- ChEMBL
CHEMBL1481410
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 67.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 198
Experimental & physicochemical properties
Solubility6.6 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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