2-(4-methoxyphenyl)-N-[3-(methylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide

C19H17N3O3S — CID 18146251

IUPAC2-(4-methoxyphenyl)-N-[3-(methylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
SMILESCNC(=O)c1cccc(NC(=O)c2csc(-c3ccc(OC)cc3)n2)c1
InChIInChI=1S/C19H17N3O3S/c1-20-17(23)13-4-3-5-14(10-13)21-18(24)16-11-26-19(22-16)12-6-8-15(25-2)9-7-12/h3-11H,1-2H3,(H,20,23)(H,21,24)
InChIKeyKLWXRXWRMJZWSK-UHFFFAOYSA-N
MW367.43 g/mol
LogP3.43
Rot. Bonds5

About 2-(4-methoxyphenyl)-N-[3-(methylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide

2-(4-methoxyphenyl)-N-[3-(methylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide (PubChem CID 18146251) has the molecular formula C19H17N3O3S and a molecular weight of 367.43 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[3-(methylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-[3-(methylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
PubChem CID18146251
Molecular FormulaC19H17N3O3S
Molecular Weight367.43 g/mol
Exact Mass367.10
IUPAC Name2-(4-methoxyphenyl)-N-[3-(methylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
SMILESCNC(=O)c1cccc(NC(=O)c2csc(-c3ccc(OC)cc3)n2)c1
InChIInChI=1S/C19H17N3O3S/c1-20-17(23)13-4-3-5-14(10-13)21-18(24)16-11-26-19(22-16)12-6-8-15(25-2)9-7-12/h3-11H,1-2H3,(H,20,23)(H,21,24)
InChIKeyKLWXRXWRMJZWSK-UHFFFAOYSA-N
XLogP3.43
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methoxyphenyl)-N-[3-(pyridine-4-carbonylamino)phenyl]-1,3-thiazole-4-carboxamide
CID 39186590
N-(3-acetylphenyl)-2-phenyl-1,3-thiazole-4-carboxamide
CID 18197950
N-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 55725770
N-(3-methoxyphenyl)-2-(4-phenylmethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 83285381
N-(3-acetamidophenyl)-2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 46547565
2-(4-ethoxyphenyl)-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
CID 55783786
N-[4-(tert-butylcarbamoyl)phenyl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 46584667
3-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]amino]benzoic acid
CID 164608985
2-(4-chlorophenyl)-N-[4-(methylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
CID 26467798
N-[3-(cyclopropylcarbamoyl)phenyl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 9361287
(4-benzamidophenyl) 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate
CID 26663350
N-(2-methoxyphenyl)-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 17417805

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-[3-(methylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-[3-(methylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide (CID 18146251) is 2-(4-methoxyphenyl)-N-[3-(methylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-[3-(methylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-[3-(methylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide is CNC(=O)c1cccc(NC(=O)c2csc(-c3ccc(OC)cc3)n2)c1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-[3-(methylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is KLWXRXWRMJZWSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3S/c1-20-17(23)13-4-3-5-14(10-13)21-18(24)16-11-26-19(22-16)12-6-8-15(25-2)9-7-12/h3-11H,1-2H3,(H,20,23)(H,21,24).
What are the key properties of 2-(4-methoxyphenyl)-N-[3-(methylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide?
2-(4-methoxyphenyl)-N-[3-(methylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 367.43 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-[3-(methylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 18146251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).