2-(4-carbamoylphenyl)-N-[2-(4-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide

C20H19N3O3S — CID 117088936

IUPAC2-(4-carbamoylphenyl)-N-[2-(4-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(CCNC(=O)c2csc(-c3ccc(C(N)=O)cc3)n2)cc1
InChIInChI=1S/C20H19N3O3S/c1-26-16-8-2-13(3-9-16)10-11-22-19(25)17-12-27-20(23-17)15-6-4-14(5-7-15)18(21)24/h2-9,12H,10-11H2,1H3,(H2,21,24)(H,22,25)
InChIKeyHJTJOZNJEPDHBP-UHFFFAOYSA-N
MW381.46 g/mol
LogP2.89
Rot. Bonds7

About 2-(4-carbamoylphenyl)-N-[2-(4-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide

2-(4-carbamoylphenyl)-N-[2-(4-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide (PubChem CID 117088936) has the molecular formula C20H19N3O3S and a molecular weight of 381.46 g/mol. Its IUPAC name is 2-(4-carbamoylphenyl)-N-[2-(4-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-carbamoylphenyl)-N-[2-(4-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
PubChem CID117088936
Molecular FormulaC20H19N3O3S
Molecular Weight381.46 g/mol
Exact Mass381.11
IUPAC Name2-(4-carbamoylphenyl)-N-[2-(4-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(CCNC(=O)c2csc(-c3ccc(C(N)=O)cc3)n2)cc1
InChIInChI=1S/C20H19N3O3S/c1-26-16-8-2-13(3-9-16)10-11-22-19(25)17-12-27-20(23-17)15-6-4-14(5-7-15)18(21)24/h2-9,12H,10-11H2,1H3,(H2,21,24)(H,22,25)
InChIKeyHJTJOZNJEPDHBP-UHFFFAOYSA-N
XLogP2.89
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(2-chlorophenyl)methoxy]phenyl]-N-[2-(4-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 42865822
N-ethyl-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 42656610
N-(3-aminobutyl)-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119495584
2-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-N-[2-(4-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 46065955
4-methoxy-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide
CID 55434098
N-[2-(4-hydroxyphenyl)ethyl]-2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 84555612
N-(2-amino-2-ethylbutyl)-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119640344
2-[4-[(2,4-difluorophenyl)methoxy]-3-methoxyphenyl]-N-[2-(4-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 42865953
N-(3-amino-2-methylpropyl)-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119998203
2-(3,4-dimethoxyanilino)-N-[2-(4-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 16955399
2-(4-methoxyphenyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 17392431
N-[2-(4-methoxyphenyl)ethyl]-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide
CID 90505960

Frequently Asked Questions

What is the IUPAC name of 2-(4-carbamoylphenyl)-N-[2-(4-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(4-carbamoylphenyl)-N-[2-(4-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide (CID 117088936) is 2-(4-carbamoylphenyl)-N-[2-(4-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(4-carbamoylphenyl)-N-[2-(4-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(4-carbamoylphenyl)-N-[2-(4-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide is COc1ccc(CCNC(=O)c2csc(-c3ccc(C(N)=O)cc3)n2)cc1.
What is the InChIKey of 2-(4-carbamoylphenyl)-N-[2-(4-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide?
The InChIKey is HJTJOZNJEPDHBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3S/c1-26-16-8-2-13(3-9-16)10-11-22-19(25)17-12-27-20(23-17)15-6-4-14(5-7-15)18(21)24/h2-9,12H,10-11H2,1H3,(H2,21,24)(H,22,25).
What are the key properties of 2-(4-carbamoylphenyl)-N-[2-(4-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide?
2-(4-carbamoylphenyl)-N-[2-(4-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide has a molecular weight of 381.46 g/mol, XLogP of 2.89, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-carbamoylphenyl)-N-[2-(4-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 117088936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).