3-(tetrazol-1-yl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]thiophene-2-carboxamide

C14H17N7OS — CID 75370933

IUPAC3-(tetrazol-1-yl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]thiophene-2-carboxamide
SMILESCc1nn(C)c(C)c1C(C)NC(=O)c1sccc1-n1cnnn1
InChIInChI=1S/C14H17N7OS/c1-8(12-9(2)17-20(4)10(12)3)16-14(22)13-11(5-6-23-13)21-7-15-18-19-21/h5-8H,1-4H3,(H,16,22)
InChIKeyGGWORQGRBABZBR-UHFFFAOYSA-N
MW331.41 g/mol
LogP1.57
Rot. Bonds4

About 3-(tetrazol-1-yl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]thiophene-2-carboxamide

3-(tetrazol-1-yl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]thiophene-2-carboxamide (PubChem CID 75370933) has the molecular formula C14H17N7OS and a molecular weight of 331.41 g/mol. Its IUPAC name is 3-(tetrazol-1-yl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-(tetrazol-1-yl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]thiophene-2-carboxamide
PubChem CID75370933
Molecular FormulaC14H17N7OS
Molecular Weight331.41 g/mol
Exact Mass331.12
IUPAC Name3-(tetrazol-1-yl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]thiophene-2-carboxamide
SMILESCc1nn(C)c(C)c1C(C)NC(=O)c1sccc1-n1cnnn1
InChIInChI=1S/C14H17N7OS/c1-8(12-9(2)17-20(4)10(12)3)16-14(22)13-11(5-6-23-13)21-7-15-18-19-21/h5-8H,1-4H3,(H,16,22)
InChIKeyGGWORQGRBABZBR-UHFFFAOYSA-N
XLogP1.57
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.41
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-(tetrazol-1-yl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]thiophene-2-carboxamide?
The IUPAC name of 3-(tetrazol-1-yl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]thiophene-2-carboxamide (CID 75370933) is 3-(tetrazol-1-yl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-(tetrazol-1-yl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for 3-(tetrazol-1-yl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]thiophene-2-carboxamide is Cc1nn(C)c(C)c1C(C)NC(=O)c1sccc1-n1cnnn1.
What is the InChIKey of 3-(tetrazol-1-yl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]thiophene-2-carboxamide?
The InChIKey is GGWORQGRBABZBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N7OS/c1-8(12-9(2)17-20(4)10(12)3)16-14(22)13-11(5-6-23-13)21-7-15-18-19-21/h5-8H,1-4H3,(H,16,22).
What are the key properties of 3-(tetrazol-1-yl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]thiophene-2-carboxamide?
3-(tetrazol-1-yl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]thiophene-2-carboxamide has a molecular weight of 331.41 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tetrazol-1-yl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 75370933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).