Basic information
- CAS
18903-26-9- Standard SMILES
Cc1nc2[nH]c(=O)[nH]c(=O)c2s1- InChIKey
MZOFKOXXOSTFHL-UHFFFAOYSA-N- Molecular formula
- C6H5N3O2S
- Average molar mass
- 183.19 g/mol
- Monoisotopic mass
- 183.0102474
Overview
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Names & identifiers
- Preferred name
- 2-Methylthiazolo[4,5-d]pyrimidine-5,7(4H,6H)-dione
- IUPAC
- 2-methyl-4H-[1,3]thiazolo[4,5-d]pyrimidine-5,7-dione
Names & synonyms
18903-26-92-Methylthiazolo[4,5-d]pyrimidine-5,7(4H,6H)-dione2-methyl-4H-thiazolo[4,5-d]pyrimidine-5,7-dione2-methyl[1,3]thiazolo[4,5-d]pyrimidine-5,7-diolNSC403367Oprea1_358930SCHEMBL1194456SCHEMBL25191712SCHEMBL31138840DTXSID70323213MZOFKOXXOSTFHL-UHFFFAOYSA-NHMS1607O06
Show more names
MFCD00600562AKOS001585021AKOS015917190NSC-403367SY4695422-methyl-thiazolo[5,4-e]pyrimidine-5,7-diolAE-641/32255021AH-034/11963074
Database identifiers
- CAS
18903-26-9- PubChem CID
- 345641
- DTXSID
DTXSID70323213
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 99.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 245
Related reactions
2 records
Compound notes
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