5-methyl-N-(4-methylphenyl)-7-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide

C17H16N6OS — CID 135805136

IUPAC5-methyl-N-(4-methylphenyl)-7-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCC1=C(C(=O)Nc2ccc(C)cc2)C(c2cccs2)n2nnnc2N1
InChIInChI=1S/C17H16N6OS/c1-10-5-7-12(8-6-10)19-16(24)14-11(2)18-17-20-21-22-23(17)15(14)13-4-3-9-25-13/h3-9,15H,1-2H3,(H,19,24)(H,18,20,22)
InChIKeyOUMWXFXHPQZKNO-UHFFFAOYSA-N
MW352.42 g/mol
LogP2.97
Rot. Bonds3

About 5-methyl-N-(4-methylphenyl)-7-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide

5-methyl-N-(4-methylphenyl)-7-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 135805136) has the molecular formula C17H16N6OS and a molecular weight of 352.42 g/mol. Its IUPAC name is 5-methyl-N-(4-methylphenyl)-7-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(4-methylphenyl)-7-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID135805136
Molecular FormulaC17H16N6OS
Molecular Weight352.42 g/mol
Exact Mass352.11
IUPAC Name5-methyl-N-(4-methylphenyl)-7-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCC1=C(C(=O)Nc2ccc(C)cc2)C(c2cccs2)n2nnnc2N1
InChIInChI=1S/C17H16N6OS/c1-10-5-7-12(8-6-10)19-16(24)14-11(2)18-17-20-21-22-23(17)15(14)13-4-3-9-25-13/h3-9,15H,1-2H3,(H,19,24)(H,18,20,22)
InChIKeyOUMWXFXHPQZKNO-UHFFFAOYSA-N
XLogP2.97
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-chlorophenyl)-5-methyl-7-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 3243686
(7R)-N-(2,5-dimethoxyphenyl)-5-methyl-7-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 135763761
methyl (7R)-6-(4-methylbenzoyl)-7-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylate
CID 137121769
(7R)-N-(4-chlorophenyl)-5-methyl-7-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 136728526
(7S)-7-(2-fluorophenyl)-5-methyl-N-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 135845439
(7R)-7-(2-chlorophenyl)-N-(4-chlorophenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 136842784
7-(3,4-diethoxyphenyl)-5-methyl-N-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 135805284
5-methyl-N-(4-methylphenyl)-7-[4-(2-phenylethoxy)phenyl]-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 135805315
7-(2-fluorophenyl)-N-(4-methoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 135966450
octyl (7R)-5-methyl-7-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate
CID 136843412
2-(4-methoxyphenyl)-5-methyl-N-phenyl-7-thiophen-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135553706
5-methyl-N-(4-methylphenyl)-7-[4-[(2-methylphenyl)methoxy]phenyl]-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 135805304

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(4-methylphenyl)-7-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 5-methyl-N-(4-methylphenyl)-7-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide (CID 135805136) is 5-methyl-N-(4-methylphenyl)-7-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 5-methyl-N-(4-methylphenyl)-7-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 5-methyl-N-(4-methylphenyl)-7-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide is CC1=C(C(=O)Nc2ccc(C)cc2)C(c2cccs2)n2nnnc2N1.
What is the InChIKey of 5-methyl-N-(4-methylphenyl)-7-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is OUMWXFXHPQZKNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6OS/c1-10-5-7-12(8-6-10)19-16(24)14-11(2)18-17-20-21-22-23(17)15(14)13-4-3-9-25-13/h3-9,15H,1-2H3,(H,19,24)(H,18,20,22).
What are the key properties of 5-methyl-N-(4-methylphenyl)-7-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide?
5-methyl-N-(4-methylphenyl)-7-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 352.42 g/mol, XLogP of 2.97, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(4-methylphenyl)-7-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 135805136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).