5-methyl-N-(4-methyl-1H-pyrazol-5-yl)-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide

C12H11N5O2S — CID 104620178

IUPAC5-methyl-N-(4-methyl-1H-pyrazol-5-yl)-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1cn[nH]c1NC(=O)c1sc2nc[nH]c(=O)c2c1C
InChIInChI=1S/C12H11N5O2S/c1-5-3-15-17-9(5)16-11(19)8-6(2)7-10(18)13-4-14-12(7)20-8/h3-4H,1-2H3,(H,13,14,18)(H2,15,16,17,19)
InChIKeyNGIANUPTCROFNB-UHFFFAOYSA-N
MW289.32 g/mol
LogP1.58
Rot. Bonds2

About 5-methyl-N-(4-methyl-1H-pyrazol-5-yl)-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide

5-methyl-N-(4-methyl-1H-pyrazol-5-yl)-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 104620178) has the molecular formula C12H11N5O2S and a molecular weight of 289.32 g/mol. Its IUPAC name is 5-methyl-N-(4-methyl-1H-pyrazol-5-yl)-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(4-methyl-1H-pyrazol-5-yl)-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID104620178
Molecular FormulaC12H11N5O2S
Molecular Weight289.32 g/mol
Exact Mass289.06
IUPAC Name5-methyl-N-(4-methyl-1H-pyrazol-5-yl)-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1cn[nH]c1NC(=O)c1sc2nc[nH]c(=O)c2c1C
InChIInChI=1S/C12H11N5O2S/c1-5-3-15-17-9(5)16-11(19)8-6(2)7-10(18)13-4-14-12(7)20-8/h3-4H,1-2H3,(H,13,14,18)(H2,15,16,17,19)
InChIKeyNGIANUPTCROFNB-UHFFFAOYSA-N
XLogP1.58
TPSA103.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-methyl-N-(4-methyl-1H-pyrazol-5-yl)-4-oxo-3H-thieno[2,3-d]pyrimidine-6-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

5-methyl-N-(4-methylphenyl)-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide;hydrochloride
CID 126476924
5-methyl-4-oxo-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-3H-thieno[2,3-d]pyrimidine-6-carboxamide
CID 91639491
N-(1,3-dihydroxypropan-2-yl)-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide
CID 65312350
2-methyl-2-[(5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carbonyl)amino]propanoic acid
CID 39164975
(2R)-3-methyl-2-[(5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carbonyl)amino]butanoic acid
CID 39164923
(2S)-2-[(5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carbonyl)amino]butanoic acid
CID 39164951
methyl 3-[(5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carbonyl)amino]propanoate
CID 60628973
N-(1-hydroxy-2-methylbutan-2-yl)-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide
CID 64556977
ethyl 5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate
CID 731240
4-methyl-2-[(5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carbonyl)amino]pentanoic acid
CID 82032566
N-(3-hydroxy-4-methoxybutyl)-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide
CID 106242685
5-methyl-N-[[4-(4-methylphenoxy)phenyl]methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide
CID 46978339

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(4-methyl-1H-pyrazol-5-yl)-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 5-methyl-N-(4-methyl-1H-pyrazol-5-yl)-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide (CID 104620178) is 5-methyl-N-(4-methyl-1H-pyrazol-5-yl)-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 5-methyl-N-(4-methyl-1H-pyrazol-5-yl)-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 5-methyl-N-(4-methyl-1H-pyrazol-5-yl)-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide is Cc1cn[nH]c1NC(=O)c1sc2nc[nH]c(=O)c2c1C.
What is the InChIKey of 5-methyl-N-(4-methyl-1H-pyrazol-5-yl)-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is NGIANUPTCROFNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O2S/c1-5-3-15-17-9(5)16-11(19)8-6(2)7-10(18)13-4-14-12(7)20-8/h3-4H,1-2H3,(H,13,14,18)(H2,15,16,17,19).
What are the key properties of 5-methyl-N-(4-methyl-1H-pyrazol-5-yl)-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide?
5-methyl-N-(4-methyl-1H-pyrazol-5-yl)-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 289.32 g/mol, XLogP of 1.58, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(4-methyl-1H-pyrazol-5-yl)-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 104620178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).