N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide

C15H12N8OS — CID 55983520

IUPACN-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide
SMILESCc1nc(-c2cccc(NC(=O)c3sccc3-n3cnnn3)c2)n[nH]1
InChIInChI=1S/C15H12N8OS/c1-9-17-14(20-19-9)10-3-2-4-11(7-10)18-15(24)13-12(5-6-25-13)23-8-16-21-22-23/h2-8H,1H3,(H,18,24)(H,17,19,20)
InChIKeyDDDSFRFTFHGRQO-UHFFFAOYSA-N
MW352.38 g/mol
LogP2.07
Rot. Bonds4

About N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide

N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide (PubChem CID 55983520) has the molecular formula C15H12N8OS and a molecular weight of 352.38 g/mol. Its IUPAC name is N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide
PubChem CID55983520
Molecular FormulaC15H12N8OS
Molecular Weight352.38 g/mol
Exact Mass352.09
IUPAC NameN-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide
SMILESCc1nc(-c2cccc(NC(=O)c3sccc3-n3cnnn3)c2)n[nH]1
InChIInChI=1S/C15H12N8OS/c1-9-17-14(20-19-9)10-3-2-4-11(7-10)18-15(24)13-12(5-6-25-13)23-8-16-21-22-23/h2-8H,1H3,(H,18,24)(H,17,19,20)
InChIKeyDDDSFRFTFHGRQO-UHFFFAOYSA-N
XLogP2.07
TPSA114.27 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.38
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-4-(tetrazol-1-yl)benzamide
CID 136578425
N-(5-methyl-1H-1,2,4-triazol-3-yl)-3-(tetrazol-1-yl)thiophene-2-carboxamide
CID 78928244
2,4-dimethyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-1,3-thiazole-5-carboxamide
CID 136578426
5-acetyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]thiophene-2-carboxamide
CID 131930308
N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 55826182
3-amino-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-1H-pyrazole-5-carboxamide
CID 64525875
N-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-(tetrazol-1-yl)thiophene-2-carboxamide
CID 55966312
4-methylsulfonyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]benzamide
CID 131927235
2-(methylamino)-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide
CID 60928275
N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide
CID 60553003
3-acetamido-4-methyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]benzamide
CID 87011024
3,5-dimethyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-1,2-oxazole-4-carboxamide
CID 131928767

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide?
The IUPAC name of N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide (CID 55983520) is N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide?
The canonical SMILES for N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide is Cc1nc(-c2cccc(NC(=O)c3sccc3-n3cnnn3)c2)n[nH]1.
What is the InChIKey of N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide?
The InChIKey is DDDSFRFTFHGRQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N8OS/c1-9-17-14(20-19-9)10-3-2-4-11(7-10)18-15(24)13-12(5-6-25-13)23-8-16-21-22-23/h2-8H,1H3,(H,18,24)(H,17,19,20).
What are the key properties of N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide?
N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide has a molecular weight of 352.38 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide is sourced from PubChem (CID 55983520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).