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

C17H14N6O2S — CID 30865222

IUPAC2-benzyl-5-methyl-4-oxo-N-(1H-1,2,4-triazol-5-yl)-3H-thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)Nc2ncn[nH]2)sc2nc(Cc3ccccc3)[nH]c(=O)c12
InChIInChI=1S/C17H14N6O2S/c1-9-12-14(24)20-11(7-10-5-3-2-4-6-10)21-16(12)26-13(9)15(25)22-17-18-8-19-23-17/h2-6,8H,7H2,1H3,(H,20,21,24)(H2,18,19,22,23,25)
InChIKeyKCAFXLVLCDGYDO-UHFFFAOYSA-N
MW366.41 g/mol
LogP2.25
Rot. Bonds4

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

2-benzyl-5-methyl-4-oxo-N-(1H-1,2,4-triazol-5-yl)-3H-thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 30865222) has the molecular formula C17H14N6O2S and a molecular weight of 366.41 g/mol. Its IUPAC name is 2-benzyl-5-methyl-4-oxo-N-(1H-1,2,4-triazol-5-yl)-3H-thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-benzyl-5-methyl-4-oxo-N-(1H-1,2,4-triazol-5-yl)-3H-thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID30865222
Molecular FormulaC17H14N6O2S
Molecular Weight366.41 g/mol
Exact Mass366.09
IUPAC Name2-benzyl-5-methyl-4-oxo-N-(1H-1,2,4-triazol-5-yl)-3H-thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)Nc2ncn[nH]2)sc2nc(Cc3ccccc3)[nH]c(=O)c12
InChIInChI=1S/C17H14N6O2S/c1-9-12-14(24)20-11(7-10-5-3-2-4-6-10)21-16(12)26-13(9)15(25)22-17-18-8-19-23-17/h2-6,8H,7H2,1H3,(H,20,21,24)(H2,18,19,22,23,25)
InChIKeyKCAFXLVLCDGYDO-UHFFFAOYSA-N
XLogP2.25
TPSA116.42 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.41
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-benzyl-5-methyl-4-oxo-N-(1H-1,2,4-triazol-5-yl)-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

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5-methyl-4-oxo-N-(1H-1,2,4-triazol-5-yl)-3H-thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 2-benzyl-5-methyl-4-oxo-N-(1H-1,2,4-triazol-5-yl)-3H-thieno[2,3-d]pyrimidine-6-carboxamide (CID 30865222) is 2-benzyl-5-methyl-4-oxo-N-(1H-1,2,4-triazol-5-yl)-3H-thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-benzyl-5-methyl-4-oxo-N-(1H-1,2,4-triazol-5-yl)-3H-thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 2-benzyl-5-methyl-4-oxo-N-(1H-1,2,4-triazol-5-yl)-3H-thieno[2,3-d]pyrimidine-6-carboxamide is Cc1c(C(=O)Nc2ncn[nH]2)sc2nc(Cc3ccccc3)[nH]c(=O)c12.
What is the InChIKey of 2-benzyl-5-methyl-4-oxo-N-(1H-1,2,4-triazol-5-yl)-3H-thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is KCAFXLVLCDGYDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6O2S/c1-9-12-14(24)20-11(7-10-5-3-2-4-6-10)21-16(12)26-13(9)15(25)22-17-18-8-19-23-17/h2-6,8H,7H2,1H3,(H,20,21,24)(H2,18,19,22,23,25).
What are the key properties of 2-benzyl-5-methyl-4-oxo-N-(1H-1,2,4-triazol-5-yl)-3H-thieno[2,3-d]pyrimidine-6-carboxamide?
2-benzyl-5-methyl-4-oxo-N-(1H-1,2,4-triazol-5-yl)-3H-thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 366.41 g/mol, XLogP of 2.25, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-methyl-4-oxo-N-(1H-1,2,4-triazol-5-yl)-3H-thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 30865222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).