N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide

C16H14N8OS — CID 60553003

IUPACN-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide
SMILESCc1cc(C)n(-c2ccc(NC(=O)c3sccc3-n3cnnn3)cn2)n1
InChIInChI=1S/C16H14N8OS/c1-10-7-11(2)24(20-10)14-4-3-12(8-17-14)19-16(25)15-13(5-6-26-15)23-9-18-21-22-23/h3-9H,1-2H3,(H,19,25)
InChIKeyYYKYDQRTGZCUSM-UHFFFAOYSA-N
MW366.41 g/mol
LogP2.17
Rot. Bonds4

About N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide

N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide (PubChem CID 60553003) has the molecular formula C16H14N8OS and a molecular weight of 366.41 g/mol. Its IUPAC name is N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide
PubChem CID60553003
Molecular FormulaC16H14N8OS
Molecular Weight366.41 g/mol
Exact Mass366.10
IUPAC NameN-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide
SMILESCc1cc(C)n(-c2ccc(NC(=O)c3sccc3-n3cnnn3)cn2)n1
InChIInChI=1S/C16H14N8OS/c1-10-7-11(2)24(20-10)14-4-3-12(8-17-14)19-16(25)15-13(5-6-26-15)23-9-18-21-22-23/h3-9H,1-2H3,(H,19,25)
InChIKeyYYKYDQRTGZCUSM-UHFFFAOYSA-N
XLogP2.17
TPSA103.41 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.41
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

6-(3,5-dimethylpyrazol-1-yl)-N-(6-methyl-3-pyridinyl)pyridine-3-carboxamide
CID 166228864
3,5-dichloro-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]benzamide
CID 31923949
5-chloro-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]thiophene-2-carboxamide
CID 31908021
N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]pyridine-2-carboxamide
CID 38420472
4-bromo-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3,5-dimethoxybenzamide
CID 46402927
N-[4-(1,3-oxazol-5-yl)phenyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide
CID 87008522
N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 87008834
N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]furan-2-carboxamide
CID 31907855
N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-iodobenzamide
CID 31923974
N-(5-methyl-1H-1,2,4-triazol-3-yl)-3-(tetrazol-1-yl)thiophene-2-carboxamide
CID 78928244
N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-(pyrimidin-2-ylamino)benzamide
CID 46431681
N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 46431658

Frequently Asked Questions

What is the IUPAC name of N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide?
The IUPAC name of N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide (CID 60553003) is N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide?
The canonical SMILES for N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide is Cc1cc(C)n(-c2ccc(NC(=O)c3sccc3-n3cnnn3)cn2)n1.
What is the InChIKey of N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide?
The InChIKey is YYKYDQRTGZCUSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N8OS/c1-10-7-11(2)24(20-10)14-4-3-12(8-17-14)19-16(25)15-13(5-6-26-15)23-9-18-21-22-23/h3-9H,1-2H3,(H,19,25).
What are the key properties of N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide?
N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide has a molecular weight of 366.41 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide is sourced from PubChem (CID 60553003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).