N-[4-(2,4-dimethylphenyl)-3-methyl-1,3-thiazol-2-ylidene]thiophene-2-carboxamide

C17H16N2OS2 — CID 71528578

IUPACN-[4-(2,4-dimethylphenyl)-3-methyl-1,3-thiazol-2-ylidene]thiophene-2-carboxamide
SMILESCc1ccc(-c2cs/c(=N\C(=O)c3cccs3)n2C)c(C)c1
InChIInChI=1S/C17H16N2OS2/c1-11-6-7-13(12(2)9-11)14-10-22-17(19(14)3)18-16(20)15-5-4-8-21-15/h4-10H,1-3H3/b18-17-
InChIKeyQHUNFNWOHWDXHV-ZCXUNETKSA-N
MW328.46 g/mol
LogP4.17
Rot. Bonds2

About N-[4-(2,4-dimethylphenyl)-3-methyl-1,3-thiazol-2-ylidene]thiophene-2-carboxamide

N-[4-(2,4-dimethylphenyl)-3-methyl-1,3-thiazol-2-ylidene]thiophene-2-carboxamide (PubChem CID 71528578) has the molecular formula C17H16N2OS2 and a molecular weight of 328.46 g/mol. Its IUPAC name is N-[4-(2,4-dimethylphenyl)-3-methyl-1,3-thiazol-2-ylidene]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(2,4-dimethylphenyl)-3-methyl-1,3-thiazol-2-ylidene]thiophene-2-carboxamide
PubChem CID71528578
Molecular FormulaC17H16N2OS2
Molecular Weight328.46 g/mol
Exact Mass328.07
IUPAC NameN-[4-(2,4-dimethylphenyl)-3-methyl-1,3-thiazol-2-ylidene]thiophene-2-carboxamide
SMILESCc1ccc(-c2cs/c(=N\C(=O)c3cccs3)n2C)c(C)c1
InChIInChI=1S/C17H16N2OS2/c1-11-6-7-13(12(2)9-11)14-10-22-17(19(14)3)18-16(20)15-5-4-8-21-15/h4-10H,1-3H3/b18-17-
InChIKeyQHUNFNWOHWDXHV-ZCXUNETKSA-N
XLogP4.17
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 54.17
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-[4-(2,4-dimethylphenyl)-3-methyl-1,3-thiazol-2-ylidene]thiophene-2-carboxamide?
The IUPAC name of N-[4-(2,4-dimethylphenyl)-3-methyl-1,3-thiazol-2-ylidene]thiophene-2-carboxamide (CID 71528578) is N-[4-(2,4-dimethylphenyl)-3-methyl-1,3-thiazol-2-ylidene]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-(2,4-dimethylphenyl)-3-methyl-1,3-thiazol-2-ylidene]thiophene-2-carboxamide?
The canonical SMILES for N-[4-(2,4-dimethylphenyl)-3-methyl-1,3-thiazol-2-ylidene]thiophene-2-carboxamide is Cc1ccc(-c2cs/c(=N\C(=O)c3cccs3)n2C)c(C)c1.
What is the InChIKey of N-[4-(2,4-dimethylphenyl)-3-methyl-1,3-thiazol-2-ylidene]thiophene-2-carboxamide?
The InChIKey is QHUNFNWOHWDXHV-ZCXUNETKSA-N. The full InChI is InChI=1S/C17H16N2OS2/c1-11-6-7-13(12(2)9-11)14-10-22-17(19(14)3)18-16(20)15-5-4-8-21-15/h4-10H,1-3H3/b18-17-.
What are the key properties of N-[4-(2,4-dimethylphenyl)-3-methyl-1,3-thiazol-2-ylidene]thiophene-2-carboxamide?
N-[4-(2,4-dimethylphenyl)-3-methyl-1,3-thiazol-2-ylidene]thiophene-2-carboxamide has a molecular weight of 328.46 g/mol, XLogP of 4.17, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,4-dimethylphenyl)-3-methyl-1,3-thiazol-2-ylidene]thiophene-2-carboxamide is sourced from PubChem (CID 71528578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).