N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]thiophene-2-carboxamide

C14H13N5OS — CID 18565642

IUPACN-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]thiophene-2-carboxamide
SMILESCc1ccc(-n2nnnc2CNC(=O)c2cccs2)cc1
InChIInChI=1S/C14H13N5OS/c1-10-4-6-11(7-5-10)19-13(16-17-18-19)9-15-14(20)12-3-2-8-21-12/h2-8H,9H2,1H3,(H,15,20)
InChIKeyKYEVUCLBXVRRSI-UHFFFAOYSA-N
MW299.36 g/mol
LogP1.96
Rot. Bonds4

About N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]thiophene-2-carboxamide

N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]thiophene-2-carboxamide (PubChem CID 18565642) has the molecular formula C14H13N5OS and a molecular weight of 299.36 g/mol. Its IUPAC name is N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]thiophene-2-carboxamide
PubChem CID18565642
Molecular FormulaC14H13N5OS
Molecular Weight299.36 g/mol
Exact Mass299.08
IUPAC NameN-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]thiophene-2-carboxamide
SMILESCc1ccc(-n2nnnc2CNC(=O)c2cccs2)cc1
InChIInChI=1S/C14H13N5OS/c1-10-4-6-11(7-5-10)19-13(16-17-18-19)9-15-14(20)12-3-2-8-21-12/h2-8H,9H2,1H3,(H,15,20)
InChIKeyKYEVUCLBXVRRSI-UHFFFAOYSA-N
XLogP1.96
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]thiophene-2-carboxamide?
The IUPAC name of N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]thiophene-2-carboxamide (CID 18565642) is N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]thiophene-2-carboxamide?
The canonical SMILES for N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]thiophene-2-carboxamide is Cc1ccc(-n2nnnc2CNC(=O)c2cccs2)cc1.
What is the InChIKey of N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]thiophene-2-carboxamide?
The InChIKey is KYEVUCLBXVRRSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5OS/c1-10-4-6-11(7-5-10)19-13(16-17-18-19)9-15-14(20)12-3-2-8-21-12/h2-8H,9H2,1H3,(H,15,20).
What are the key properties of N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]thiophene-2-carboxamide?
N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]thiophene-2-carboxamide has a molecular weight of 299.36 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 18565642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).