N-(3-chlorophenyl)-4-methyl-2-[(2-phenoxyacetyl)amino]-1,3-thiazole-5-carboxamide

C19H16ClN3O3S — CID 1468188

IUPACN-(3-chlorophenyl)-4-methyl-2-[(2-phenoxyacetyl)amino]-1,3-thiazole-5-carboxamide
SMILESCc1nc(NC(=O)COc2ccccc2)sc1C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C19H16ClN3O3S/c1-12-17(18(25)22-14-7-5-6-13(20)10-14)27-19(21-12)23-16(24)11-26-15-8-3-2-4-9-15/h2-10H,11H2,1H3,(H,22,25)(H,21,23,24)
InChIKeyAMKISSMQSISXRJ-UHFFFAOYSA-N
MW401.88 g/mol
LogP4.37
Rot. Bonds6

About N-(3-chlorophenyl)-4-methyl-2-[(2-phenoxyacetyl)amino]-1,3-thiazole-5-carboxamide

N-(3-chlorophenyl)-4-methyl-2-[(2-phenoxyacetyl)amino]-1,3-thiazole-5-carboxamide (PubChem CID 1468188) has the molecular formula C19H16ClN3O3S and a molecular weight of 401.88 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4-methyl-2-[(2-phenoxyacetyl)amino]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-4-methyl-2-[(2-phenoxyacetyl)amino]-1,3-thiazole-5-carboxamide
PubChem CID1468188
Molecular FormulaC19H16ClN3O3S
Molecular Weight401.88 g/mol
Exact Mass401.06
IUPAC NameN-(3-chlorophenyl)-4-methyl-2-[(2-phenoxyacetyl)amino]-1,3-thiazole-5-carboxamide
SMILESCc1nc(NC(=O)COc2ccccc2)sc1C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C19H16ClN3O3S/c1-12-17(18(25)22-14-7-5-6-13(20)10-14)27-19(21-12)23-16(24)11-26-15-8-3-2-4-9-15/h2-10H,11H2,1H3,(H,22,25)(H,21,23,24)
InChIKeyAMKISSMQSISXRJ-UHFFFAOYSA-N
XLogP4.37
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.88
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(2,4-dichlorophenoxy)acetamide
CID 5220580
4-methyl-2-[(1-oxo-2-phenoxyethyl)amino]-N-phenyl-5-thiazolecarboxamide
CID 1468097
2-(2-methoxyanilino)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
CID 2701314
1-{4-Methyl-2-[(4-phenoxyphenyl)amino]-1,3-thiazol-5-YL}ethanone hydrochloride
CID 867556
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-(4-chlorophenoxy)butanamide
CID 1637692
(2-Anilino-1,3-thiazol-4-yl)methyl 2-(4-chlorophenoxy)acetate
CID 2343528
4-methyl-2-(2-phenoxyethylamino)-N-phenyl-1,3-thiazole-5-carboxamide
CID 1986175
N-(4-Methoxyphenyl)-4-methyl-2-(2-phenoxyacetamido)-1,3-thiazole-5-carboxamide
CID 1465543
2-{[2-(3-chlorophenoxy)propanoyl]amino}-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 4526952
N-(4-{[(4-chlorophenyl)carbamoyl]methyl}-1,3-thiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-phenoxyacetamide hydrochloride
CID 16192949
2-{[(4-chlorophenoxy)acetyl]amino}-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 1011253
Ethyl 2-{[(4-chlorophenoxy)acetyl]amino}-4-methyl-1,3-thiazole-5-carboxylate
CID 1219698

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-4-methyl-2-[(2-phenoxyacetyl)amino]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-4-methyl-2-[(2-phenoxyacetyl)amino]-1,3-thiazole-5-carboxamide (CID 1468188) is N-(3-chlorophenyl)-4-methyl-2-[(2-phenoxyacetyl)amino]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-4-methyl-2-[(2-phenoxyacetyl)amino]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-4-methyl-2-[(2-phenoxyacetyl)amino]-1,3-thiazole-5-carboxamide is Cc1nc(NC(=O)COc2ccccc2)sc1C(=O)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-4-methyl-2-[(2-phenoxyacetyl)amino]-1,3-thiazole-5-carboxamide?
The InChIKey is AMKISSMQSISXRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O3S/c1-12-17(18(25)22-14-7-5-6-13(20)10-14)27-19(21-12)23-16(24)11-26-15-8-3-2-4-9-15/h2-10H,11H2,1H3,(H,22,25)(H,21,23,24).
What are the key properties of N-(3-chlorophenyl)-4-methyl-2-[(2-phenoxyacetyl)amino]-1,3-thiazole-5-carboxamide?
N-(3-chlorophenyl)-4-methyl-2-[(2-phenoxyacetyl)amino]-1,3-thiazole-5-carboxamide has a molecular weight of 401.88 g/mol, XLogP of 4.37, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-4-methyl-2-[(2-phenoxyacetyl)amino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 1468188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).