N-methyl-2-(4-methylphenyl)-N-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide

C17H16N2OS2 — CID 18114181

IUPACN-methyl-2-(4-methylphenyl)-N-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide
SMILESCc1ccc(-c2nc(C(=O)N(C)Cc3cccs3)cs2)cc1
InChIInChI=1S/C17H16N2OS2/c1-12-5-7-13(8-6-12)16-18-15(11-22-16)17(20)19(2)10-14-4-3-9-21-14/h3-9,11H,10H2,1-2H3
InChIKeyGEEWGVNNEQBEOR-UHFFFAOYSA-N
MW328.46 g/mol
LogP4.45
Rot. Bonds4

About N-methyl-2-(4-methylphenyl)-N-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide

N-methyl-2-(4-methylphenyl)-N-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide (PubChem CID 18114181) has the molecular formula C17H16N2OS2 and a molecular weight of 328.46 g/mol. Its IUPAC name is N-methyl-2-(4-methylphenyl)-N-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-methyl-2-(4-methylphenyl)-N-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide
PubChem CID18114181
Molecular FormulaC17H16N2OS2
Molecular Weight328.46 g/mol
Exact Mass328.07
IUPAC NameN-methyl-2-(4-methylphenyl)-N-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide
SMILESCc1ccc(-c2nc(C(=O)N(C)Cc3cccs3)cs2)cc1
InChIInChI=1S/C17H16N2OS2/c1-12-5-7-13(8-6-12)16-18-15(11-22-16)17(20)19(2)10-14-4-3-9-21-14/h3-9,11H,10H2,1-2H3
InChIKeyGEEWGVNNEQBEOR-UHFFFAOYSA-N
XLogP4.45
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-chlorophenyl)methyl]-N-methyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 17496872
2-(4-chlorophenyl)-N-methyl-N-[(4-methylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 18114414
N-(2-hydroxyethyl)-N-methyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 110886106
[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate
CID 35492895
2-(4-chlorophenyl)-N-(furan-2-ylmethyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 17499300
N-methyl-N-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 63050087
6-amino-N-methyl-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide
CID 62238783
2-(4-chlorophenyl)-N,4-dimethyl-N-(thiophen-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 39996104
2-(dimethylamino)-N,6-dimethyl-N-(thiophen-2-ylmethyl)pyrimidine-4-carboxamide
CID 71689290
N-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 8530363
2-(4-methylphenyl)-1,3-thiazole-4-carboxylic acid
CID 2794795
N-(furan-2-ylmethyl)-2-(4-methylphenyl)-N-phenyl-1,3-thiazole-4-carboxamide
CID 18273783

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(4-methylphenyl)-N-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-methyl-2-(4-methylphenyl)-N-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide (CID 18114181) is N-methyl-2-(4-methylphenyl)-N-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-methyl-2-(4-methylphenyl)-N-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-methyl-2-(4-methylphenyl)-N-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide is Cc1ccc(-c2nc(C(=O)N(C)Cc3cccs3)cs2)cc1.
What is the InChIKey of N-methyl-2-(4-methylphenyl)-N-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is GEEWGVNNEQBEOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2OS2/c1-12-5-7-13(8-6-12)16-18-15(11-22-16)17(20)19(2)10-14-4-3-9-21-14/h3-9,11H,10H2,1-2H3.
What are the key properties of N-methyl-2-(4-methylphenyl)-N-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide?
N-methyl-2-(4-methylphenyl)-N-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 328.46 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(4-methylphenyl)-N-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 18114181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).