N-(2-methylsulfanyl-3-pyridinyl)-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide

C13H10N4O2S2 — CID 157017479

IUPACN-(2-methylsulfanyl-3-pyridinyl)-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide
SMILESCSc1ncccc1NC(=O)c1cc(=O)nc2sccn12
InChIInChI=1S/C13H10N4O2S2/c1-20-12-8(3-2-4-14-12)15-11(19)9-7-10(18)16-13-17(9)5-6-21-13/h2-7H,1H3,(H,15,19)
InChIKeyASSIQZQNHYFIBZ-UHFFFAOYSA-N
MW318.38 g/mol
LogP2.13
Rot. Bonds3

About N-(2-methylsulfanyl-3-pyridinyl)-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide

N-(2-methylsulfanyl-3-pyridinyl)-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide (PubChem CID 157017479) has the molecular formula C13H10N4O2S2 and a molecular weight of 318.38 g/mol. Its IUPAC name is N-(2-methylsulfanyl-3-pyridinyl)-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2-methylsulfanyl-3-pyridinyl)-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide
PubChem CID157017479
Molecular FormulaC13H10N4O2S2
Molecular Weight318.38 g/mol
Exact Mass318.02
IUPAC NameN-(2-methylsulfanyl-3-pyridinyl)-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide
SMILESCSc1ncccc1NC(=O)c1cc(=O)nc2sccn12
InChIInChI=1S/C13H10N4O2S2/c1-20-12-8(3-2-4-14-12)15-11(19)9-7-10(18)16-13-17(9)5-6-21-13/h2-7H,1H3,(H,15,19)
InChIKeyASSIQZQNHYFIBZ-UHFFFAOYSA-N
XLogP2.13
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(2-methylsulfanyl-3-pyridinyl)-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylate
CID 648108
7-oxo-N-(5-propyl-1,3,4-oxadiazol-2-yl)-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide
CID 157014856
7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylic acid
CID 3335218
N-[2-methyl-5-[(2-methylsulfanyl-3-pyridinyl)carbamoyl]phenyl]-1,2-thiazole-5-carboxamide
CID 172657474
3-[(2-methylsulfanylpyridine-3-carbonyl)amino]thiophene-2-carboxylic acid
CID 43171778
N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide
CID 118766149
1-[1-(dimethylamino)propan-2-yl]-4-methyl-N-(2-methylsulfanyl-3-pyridinyl)-2-oxopyridine-3-carboxamide
CID 172673669
N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide
CID 118765307
2-ethoxy-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)pyridine-3-carboxamide
CID 16933508
N-[cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide
CID 118783442
N-[(3R)-3-hydroxy-3-phenylpropyl]-N-methyl-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide
CID 99927064
7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid
CID 14319826

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfanyl-3-pyridinyl)-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide?
The IUPAC name of N-(2-methylsulfanyl-3-pyridinyl)-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide (CID 157017479) is N-(2-methylsulfanyl-3-pyridinyl)-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide.
What is the SMILES notation for N-(2-methylsulfanyl-3-pyridinyl)-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide?
The canonical SMILES for N-(2-methylsulfanyl-3-pyridinyl)-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide is CSc1ncccc1NC(=O)c1cc(=O)nc2sccn12.
What is the InChIKey of N-(2-methylsulfanyl-3-pyridinyl)-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide?
The InChIKey is ASSIQZQNHYFIBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O2S2/c1-20-12-8(3-2-4-14-12)15-11(19)9-7-10(18)16-13-17(9)5-6-21-13/h2-7H,1H3,(H,15,19).
What are the key properties of N-(2-methylsulfanyl-3-pyridinyl)-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide?
N-(2-methylsulfanyl-3-pyridinyl)-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide has a molecular weight of 318.38 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfanyl-3-pyridinyl)-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide is sourced from PubChem (CID 157017479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).