N-(3,5-dimethylphenyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide

C17H16N2OS2 — CID 17497475

IUPACN-(3,5-dimethylphenyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2sc(-c3ccsc3)nc2C)c1
InChIInChI=1S/C17H16N2OS2/c1-10-6-11(2)8-14(7-10)19-16(20)15-12(3)18-17(22-15)13-4-5-21-9-13/h4-9H,1-3H3,(H,19,20)
InChIKeyDPEDLGFDFUSNAY-UHFFFAOYSA-N
MW328.46 g/mol
LogP5.05
Rot. Bonds3

About N-(3,5-dimethylphenyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide

N-(3,5-dimethylphenyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide (PubChem CID 17497475) has the molecular formula C17H16N2OS2 and a molecular weight of 328.46 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
PubChem CID17497475
Molecular FormulaC17H16N2OS2
Molecular Weight328.46 g/mol
Exact Mass328.07
IUPAC NameN-(3,5-dimethylphenyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2sc(-c3ccsc3)nc2C)c1
InChIInChI=1S/C17H16N2OS2/c1-10-6-11(2)8-14(7-10)19-16(20)15-12(3)18-17(22-15)13-4-5-21-9-13/h4-9H,1-3H3,(H,19,20)
InChIKeyDPEDLGFDFUSNAY-UHFFFAOYSA-N
XLogP5.05
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.46
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-phenyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 8871070
N-(3-acetylphenyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 9078887
4-methyl-N-(3-methylsulfonylphenyl)-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 25497583
N-(4-carbamoyl-3-chlorophenyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 39170277
N-cyano-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 79194223
N-(5-chloro-2-hydroxyphenyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 56581492
4-methyl-N-(3-methyl-2-pyridinyl)-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 35033188
N-(4-cyclopentylsulfonylphenyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 39177524
N-(2-hydroxy-3-methylbutyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 115744537
N-(2-methoxyethyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 17489055
4-methyl-N-(2-methylbutan-2-yl)-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 47119834
N-(2-chloroprop-2-enyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 115636535

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(3,5-dimethylphenyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide (CID 17497475) is N-(3,5-dimethylphenyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide is Cc1cc(C)cc(NC(=O)c2sc(-c3ccsc3)nc2C)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide?
The InChIKey is DPEDLGFDFUSNAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2OS2/c1-10-6-11(2)8-14(7-10)19-16(20)15-12(3)18-17(22-15)13-4-5-21-9-13/h4-9H,1-3H3,(H,19,20).
What are the key properties of N-(3,5-dimethylphenyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide?
N-(3,5-dimethylphenyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide has a molecular weight of 328.46 g/mol, XLogP of 5.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 17497475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).