5-methyl-7-(3-methylthiophen-2-yl)-N-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide

C17H16N6OS — CID 2792593

IUPAC5-methyl-7-(3-methylthiophen-2-yl)-N-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCC1=C(C(=O)Nc2ccccc2)C(c2sccc2C)n2nnnc2N1
InChIInChI=1S/C17H16N6OS/c1-10-8-9-25-15(10)14-13(11(2)18-17-20-21-22-23(14)17)16(24)19-12-6-4-3-5-7-12/h3-9,14H,1-2H3,(H,19,24)(H,18,20,22)
InChIKeyROOLJGKSYOTAGD-UHFFFAOYSA-N
MW352.42 g/mol
LogP2.97
Rot. Bonds3

About 5-methyl-7-(3-methylthiophen-2-yl)-N-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide

5-methyl-7-(3-methylthiophen-2-yl)-N-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 2792593) has the molecular formula C17H16N6OS and a molecular weight of 352.42 g/mol. Its IUPAC name is 5-methyl-7-(3-methylthiophen-2-yl)-N-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-methyl-7-(3-methylthiophen-2-yl)-N-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID2792593
Molecular FormulaC17H16N6OS
Molecular Weight352.42 g/mol
Exact Mass352.11
IUPAC Name5-methyl-7-(3-methylthiophen-2-yl)-N-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCC1=C(C(=O)Nc2ccccc2)C(c2sccc2C)n2nnnc2N1
InChIInChI=1S/C17H16N6OS/c1-10-8-9-25-15(10)14-13(11(2)18-17-20-21-22-23(14)17)16(24)19-12-6-4-3-5-7-12/h3-9,14H,1-2H3,(H,19,24)(H,18,20,22)
InChIKeyROOLJGKSYOTAGD-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-benzyl-5-methyl-7-(thiophen-2-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 666727
5-methyl-N-phenyl-7-(2-thienyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 2792501
2-(Benzylsulfanyl)-5-methyl-N-(2-methylphenyl)-7-(thiophen-2-YL)-4H,7H-[1,2,4]triazolo[1,5-A]pyrimidine-6-carboxamide
CID 4081869
2-(benzylsulfanyl)-5-methyl-N-phenyl-7-(thiophen-2-yl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 3473863
2-{[(2-Fluorophenyl)methyl]sulfanyl}-5-methyl-N-phenyl-7-(thiophen-2-YL)-4H,7H-[1,2,4]triazolo[1,5-A]pyrimidine-6-carboxamide
CID 4286321
N-(2,4-Dimethylphenyl)-5-methyl-7-(3-methylthiophen-2-YL)-4H,7H-[1,2,4]triazolo[1,5-A]pyrimidine-6-carboxamide
CID 135410490
N-(5-chloro-2-methylphenyl)-5-methyl-7-(3-methylthiophen-2-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135410516
5-Methyl-7-(3-methylthiophen-2-yl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 2792775
N-(4-chlorophenyl)-5-methyl-7-thien-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 3243686
N-(2-Chlorophenyl)-5-methyl-7-(thiophen-2-YL)-4H,7H-[1,2,4]triazolo[1,5-A]pyrimidine-6-carboxamide
CID 135410526
N-(2,4-Dimethylphenyl)-5-methyl-2-{[(3-methylphenyl)methyl]sulfanyl}-7-(thiophen-2-YL)-4H,7H-[1,2,4]triazolo[1,5-A]pyrimidine-6-carboxamide
CID 135419088
N-(4-Chlorophenyl)-2-{[(3-chlorophenyl)methyl]sulfanyl}-5-methyl-7-(thiophen-2-YL)-4H,7H-[1,2,4]triazolo[1,5-A]pyrimidine-6-carboxamide
CID 135419089

Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-(3-methylthiophen-2-yl)-N-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 5-methyl-7-(3-methylthiophen-2-yl)-N-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide (CID 2792593) is 5-methyl-7-(3-methylthiophen-2-yl)-N-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 5-methyl-7-(3-methylthiophen-2-yl)-N-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 5-methyl-7-(3-methylthiophen-2-yl)-N-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide is CC1=C(C(=O)Nc2ccccc2)C(c2sccc2C)n2nnnc2N1.
What is the InChIKey of 5-methyl-7-(3-methylthiophen-2-yl)-N-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is ROOLJGKSYOTAGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6OS/c1-10-8-9-25-15(10)14-13(11(2)18-17-20-21-22-23(14)17)16(24)19-12-6-4-3-5-7-12/h3-9,14H,1-2H3,(H,19,24)(H,18,20,22).
What are the key properties of 5-methyl-7-(3-methylthiophen-2-yl)-N-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide?
5-methyl-7-(3-methylthiophen-2-yl)-N-phenyl-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-7-(3-methylthiophen-2-yl)-N-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 2792593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).