N-(4-imidazol-1-ylphenyl)-5-methylthiophene-2-carboxamide

C15H13N3OS — CID 37239302

IUPACN-(4-imidazol-1-ylphenyl)-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc(-n3ccnc3)cc2)s1
InChIInChI=1S/C15H13N3OS/c1-11-2-7-14(20-11)15(19)17-12-3-5-13(6-4-12)18-9-8-16-10-18/h2-10H,1H3,(H,17,19)
InChIKeySAYJNQHYOXGPBN-UHFFFAOYSA-N
MW283.36 g/mol
LogP3.49
Rot. Bonds3

About N-(4-imidazol-1-ylphenyl)-5-methylthiophene-2-carboxamide

N-(4-imidazol-1-ylphenyl)-5-methylthiophene-2-carboxamide (PubChem CID 37239302) has the molecular formula C15H13N3OS and a molecular weight of 283.36 g/mol. Its IUPAC name is N-(4-imidazol-1-ylphenyl)-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-imidazol-1-ylphenyl)-5-methylthiophene-2-carboxamide
PubChem CID37239302
Molecular FormulaC15H13N3OS
Molecular Weight283.36 g/mol
Exact Mass283.08
IUPAC NameN-(4-imidazol-1-ylphenyl)-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc(-n3ccnc3)cc2)s1
InChIInChI=1S/C15H13N3OS/c1-11-2-7-14(20-11)15(19)17-12-3-5-13(6-4-12)18-9-8-16-10-18/h2-10H,1H3,(H,17,19)
InChIKeySAYJNQHYOXGPBN-UHFFFAOYSA-N
XLogP3.49
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-imidazol-1-ylphenyl)-5-methylthiophene-2-carboxamide?
The IUPAC name of N-(4-imidazol-1-ylphenyl)-5-methylthiophene-2-carboxamide (CID 37239302) is N-(4-imidazol-1-ylphenyl)-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(4-imidazol-1-ylphenyl)-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-(4-imidazol-1-ylphenyl)-5-methylthiophene-2-carboxamide is Cc1ccc(C(=O)Nc2ccc(-n3ccnc3)cc2)s1.
What is the InChIKey of N-(4-imidazol-1-ylphenyl)-5-methylthiophene-2-carboxamide?
The InChIKey is SAYJNQHYOXGPBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3OS/c1-11-2-7-14(20-11)15(19)17-12-3-5-13(6-4-12)18-9-8-16-10-18/h2-10H,1H3,(H,17,19).
What are the key properties of N-(4-imidazol-1-ylphenyl)-5-methylthiophene-2-carboxamide?
N-(4-imidazol-1-ylphenyl)-5-methylthiophene-2-carboxamide has a molecular weight of 283.36 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-imidazol-1-ylphenyl)-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 37239302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).