N-(3-methyl-4-phenyl-1,3-thiazol-2-ylidene)thiophene-2-carboxamide

C15H12N2OS2 — CID 71528440

IUPACN-(3-methyl-4-phenyl-1,3-thiazol-2-ylidene)thiophene-2-carboxamide
SMILESCn1c(-c2ccccc2)cs/c1=N\C(=O)c1cccs1
InChIInChI=1S/C15H12N2OS2/c1-17-12(11-6-3-2-4-7-11)10-20-15(17)16-14(18)13-8-5-9-19-13/h2-10H,1H3/b16-15-
InChIKeyMCUDIDBIMUBOAW-NXVVXOECSA-N
MW300.41 g/mol
LogP3.56
Rot. Bonds2

About N-(3-methyl-4-phenyl-1,3-thiazol-2-ylidene)thiophene-2-carboxamide

N-(3-methyl-4-phenyl-1,3-thiazol-2-ylidene)thiophene-2-carboxamide (PubChem CID 71528440) has the molecular formula C15H12N2OS2 and a molecular weight of 300.41 g/mol. Its IUPAC name is N-(3-methyl-4-phenyl-1,3-thiazol-2-ylidene)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-methyl-4-phenyl-1,3-thiazol-2-ylidene)thiophene-2-carboxamide
PubChem CID71528440
Molecular FormulaC15H12N2OS2
Molecular Weight300.41 g/mol
Exact Mass300.04
IUPAC NameN-(3-methyl-4-phenyl-1,3-thiazol-2-ylidene)thiophene-2-carboxamide
SMILESCn1c(-c2ccccc2)cs/c1=N\C(=O)c1cccs1
InChIInChI=1S/C15H12N2OS2/c1-17-12(11-6-3-2-4-7-11)10-20-15(17)16-14(18)13-8-5-9-19-13/h2-10H,1H3/b16-15-
InChIKeyMCUDIDBIMUBOAW-NXVVXOECSA-N
XLogP3.56
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-4-phenyl-1,3-thiazol-2-ylidene)thiophene-2-carboxamide?
The IUPAC name of N-(3-methyl-4-phenyl-1,3-thiazol-2-ylidene)thiophene-2-carboxamide (CID 71528440) is N-(3-methyl-4-phenyl-1,3-thiazol-2-ylidene)thiophene-2-carboxamide.
What is the SMILES notation for N-(3-methyl-4-phenyl-1,3-thiazol-2-ylidene)thiophene-2-carboxamide?
The canonical SMILES for N-(3-methyl-4-phenyl-1,3-thiazol-2-ylidene)thiophene-2-carboxamide is Cn1c(-c2ccccc2)cs/c1=N\C(=O)c1cccs1.
What is the InChIKey of N-(3-methyl-4-phenyl-1,3-thiazol-2-ylidene)thiophene-2-carboxamide?
The InChIKey is MCUDIDBIMUBOAW-NXVVXOECSA-N. The full InChI is InChI=1S/C15H12N2OS2/c1-17-12(11-6-3-2-4-7-11)10-20-15(17)16-14(18)13-8-5-9-19-13/h2-10H,1H3/b16-15-.
What are the key properties of N-(3-methyl-4-phenyl-1,3-thiazol-2-ylidene)thiophene-2-carboxamide?
N-(3-methyl-4-phenyl-1,3-thiazol-2-ylidene)thiophene-2-carboxamide has a molecular weight of 300.41 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-4-phenyl-1,3-thiazol-2-ylidene)thiophene-2-carboxamide is sourced from PubChem (CID 71528440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).