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

C11H10N6O2S — CID 47141990

IUPACN,5-dimethyl-4-oxo-2-(1H-1,2,4-triazol-5-yl)-3H-thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCNC(=O)c1sc2nc(-c3ncn[nH]3)[nH]c(=O)c2c1C
InChIInChI=1S/C11H10N6O2S/c1-4-5-9(18)15-8(7-13-3-14-17-7)16-11(5)20-6(4)10(19)12-2/h3H,1-2H3,(H,12,19)(H,13,14,17)(H,15,16,18)
InChIKeySDCCXFUPZSHMHH-UHFFFAOYSA-N
MW290.31 g/mol
LogP0.44
Rot. Bonds2

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

N,5-dimethyl-4-oxo-2-(1H-1,2,4-triazol-5-yl)-3H-thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 47141990) has the molecular formula C11H10N6O2S and a molecular weight of 290.31 g/mol. Its IUPAC name is N,5-dimethyl-4-oxo-2-(1H-1,2,4-triazol-5-yl)-3H-thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN,5-dimethyl-4-oxo-2-(1H-1,2,4-triazol-5-yl)-3H-thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID47141990
Molecular FormulaC11H10N6O2S
Molecular Weight290.31 g/mol
Exact Mass290.06
IUPAC NameN,5-dimethyl-4-oxo-2-(1H-1,2,4-triazol-5-yl)-3H-thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCNC(=O)c1sc2nc(-c3ncn[nH]3)[nH]c(=O)c2c1C
InChIInChI=1S/C11H10N6O2S/c1-4-5-9(18)15-8(7-13-3-14-17-7)16-11(5)20-6(4)10(19)12-2/h3H,1-2H3,(H,12,19)(H,13,14,17)(H,15,16,18)
InChIKeySDCCXFUPZSHMHH-UHFFFAOYSA-N
XLogP0.44
TPSA116.42 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N,5-dimethyl-4-oxo-2-[3-(trifluoromethyl)phenyl]-3H-thieno[2,3-d]pyrimidine-6-carboxamide
CID 17464782
2-benzyl-5-methyl-4-oxo-N-(1H-1,2,4-triazol-5-yl)-3H-thieno[2,3-d]pyrimidine-6-carboxamide
CID 30865222
N-cyclopropyl-2,5-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide
CID 39084641
5-methyl-4-oxo-N-phenyl-2-pyridin-3-yl-3H-thieno[2,3-d]pyrimidine-6-carboxamide
CID 28889045
2-[(dimethylamino)methyl]-5-methyl-N-(5-methyl-1H-pyrazol-3-yl)-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide
CID 110500154
2-[(dimethylamino)methyl]-5-methyl-4-oxo-N-(1,3-thiazol-2-yl)-3H-thieno[2,3-d]pyrimidine-6-carboxamide
CID 110502934
N-(2,4-dimethylphenyl)-5-methyl-4-oxo-2-phenyl-3H-thieno[2,3-d]pyrimidine-6-carboxamide
CID 28868202
trans-ethyl (1S,2S)-2-[5-methyl-6-(methylcarbamoyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]cyclopropane-1-carboxylate
CID 97339991
cis-ethyl (1S,2R)-2-[5-methyl-6-(methylcarbamoyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]cyclopropane-1-carboxylate
CID 97339993
N-(2-methoxyphenyl)-5-methyl-4-oxo-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidine-6-carboxamide
CID 28888917
3,5-dimethyl-4-oxo-N-(1H-1,2,4-triazol-5-yl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 30865272
2-[(dimethylamino)methyl]-5-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide
CID 110502938

Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-4-oxo-2-(1H-1,2,4-triazol-5-yl)-3H-thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N,5-dimethyl-4-oxo-2-(1H-1,2,4-triazol-5-yl)-3H-thieno[2,3-d]pyrimidine-6-carboxamide (CID 47141990) is N,5-dimethyl-4-oxo-2-(1H-1,2,4-triazol-5-yl)-3H-thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N,5-dimethyl-4-oxo-2-(1H-1,2,4-triazol-5-yl)-3H-thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N,5-dimethyl-4-oxo-2-(1H-1,2,4-triazol-5-yl)-3H-thieno[2,3-d]pyrimidine-6-carboxamide is CNC(=O)c1sc2nc(-c3ncn[nH]3)[nH]c(=O)c2c1C.
What is the InChIKey of N,5-dimethyl-4-oxo-2-(1H-1,2,4-triazol-5-yl)-3H-thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is SDCCXFUPZSHMHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N6O2S/c1-4-5-9(18)15-8(7-13-3-14-17-7)16-11(5)20-6(4)10(19)12-2/h3H,1-2H3,(H,12,19)(H,13,14,17)(H,15,16,18).
What are the key properties of N,5-dimethyl-4-oxo-2-(1H-1,2,4-triazol-5-yl)-3H-thieno[2,3-d]pyrimidine-6-carboxamide?
N,5-dimethyl-4-oxo-2-(1H-1,2,4-triazol-5-yl)-3H-thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 290.31 g/mol, XLogP of 0.44, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-4-oxo-2-(1H-1,2,4-triazol-5-yl)-3H-thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 47141990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).