methyl N-[5-[(5-chloro-2-methoxybenzoyl)amino]-4-phenyl-1,3-thiazol-2-yl]carbamate

C19H16ClN3O4S — CID 121065395

IUPACmethyl N-[5-[(5-chloro-2-methoxybenzoyl)amino]-4-phenyl-1,3-thiazol-2-yl]carbamate
SMILESCOC(=O)Nc1nc(-c2ccccc2)c(NC(=O)c2cc(Cl)ccc2OC)s1
InChIInChI=1S/C19H16ClN3O4S/c1-26-14-9-8-12(20)10-13(14)16(24)22-17-15(11-6-4-3-5-7-11)21-18(28-17)23-19(25)27-2/h3-10H,1-2H3,(H,22,24)(H,21,23,25)
InChIKeyQJVCJOQJSRBRLE-UHFFFAOYSA-N
MW417.87 g/mol
LogP4.90
Rot. Bonds5

About methyl N-[5-[(5-chloro-2-methoxybenzoyl)amino]-4-phenyl-1,3-thiazol-2-yl]carbamate

methyl N-[5-[(5-chloro-2-methoxybenzoyl)amino]-4-phenyl-1,3-thiazol-2-yl]carbamate (PubChem CID 121065395) has the molecular formula C19H16ClN3O4S and a molecular weight of 417.87 g/mol. Its IUPAC name is methyl N-[5-[(5-chloro-2-methoxybenzoyl)amino]-4-phenyl-1,3-thiazol-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[5-[(5-chloro-2-methoxybenzoyl)amino]-4-phenyl-1,3-thiazol-2-yl]carbamate
PubChem CID121065395
Molecular FormulaC19H16ClN3O4S
Molecular Weight417.87 g/mol
Exact Mass417.06
IUPAC Namemethyl N-[5-[(5-chloro-2-methoxybenzoyl)amino]-4-phenyl-1,3-thiazol-2-yl]carbamate
SMILESCOC(=O)Nc1nc(-c2ccccc2)c(NC(=O)c2cc(Cl)ccc2OC)s1
InChIInChI=1S/C19H16ClN3O4S/c1-26-14-9-8-12(20)10-13(14)16(24)22-17-15(11-6-4-3-5-7-11)21-18(28-17)23-19(25)27-2/h3-10H,1-2H3,(H,22,24)(H,21,23,25)
InChIKeyQJVCJOQJSRBRLE-UHFFFAOYSA-N
XLogP4.90
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.87
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl N-[5-[(2-bromobenzoyl)amino]-4-phenyl-1,3-thiazol-2-yl]carbamate
CID 121065385
N-(2-acetamido-4-phenyl-1,3-thiazol-5-yl)-4-chlorobenzamide
CID 23889740
5-chloro-2-methoxy-N-[2-[(5-phenyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]benzamide
CID 45013631
N-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-4-phenyl-1,3-thiazol-5-yl]benzamide
CID 46300079
ethyl N-[5-[(5-bromo-2-chlorobenzoyl)amino]-4-phenyl-1,3-thiazol-2-yl]carbamate
CID 121065544
N-(5-benzamido-4-phenyl-1,3-thiazol-2-yl)-2-chlorobenzamide
CID 46300012
6-[(5-chloro-2-methoxybenzoyl)amino]pyridine-2-carboxylic acid
CID 63643423
2,5-dichloro-N-(4,5-diphenyl-1,3-thiazol-2-yl)benzamide
CID 4307755
methyl N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)carbamate
CID 1220478
methyl N-(4,5-diphenyl-1,3-thiazol-2-yl)carbamate
CID 1244319
methyl N-[5-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-4-phenyl-1,3-thiazol-2-yl]carbamate
CID 121065459
N-(2-benzamido-4-phenyl-1,3-thiazol-5-yl)benzamide
CID 46300054

Frequently Asked Questions

What is the IUPAC name of methyl N-[5-[(5-chloro-2-methoxybenzoyl)amino]-4-phenyl-1,3-thiazol-2-yl]carbamate?
The IUPAC name of methyl N-[5-[(5-chloro-2-methoxybenzoyl)amino]-4-phenyl-1,3-thiazol-2-yl]carbamate (CID 121065395) is methyl N-[5-[(5-chloro-2-methoxybenzoyl)amino]-4-phenyl-1,3-thiazol-2-yl]carbamate.
What is the SMILES notation for methyl N-[5-[(5-chloro-2-methoxybenzoyl)amino]-4-phenyl-1,3-thiazol-2-yl]carbamate?
The canonical SMILES for methyl N-[5-[(5-chloro-2-methoxybenzoyl)amino]-4-phenyl-1,3-thiazol-2-yl]carbamate is COC(=O)Nc1nc(-c2ccccc2)c(NC(=O)c2cc(Cl)ccc2OC)s1.
What is the InChIKey of methyl N-[5-[(5-chloro-2-methoxybenzoyl)amino]-4-phenyl-1,3-thiazol-2-yl]carbamate?
The InChIKey is QJVCJOQJSRBRLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O4S/c1-26-14-9-8-12(20)10-13(14)16(24)22-17-15(11-6-4-3-5-7-11)21-18(28-17)23-19(25)27-2/h3-10H,1-2H3,(H,22,24)(H,21,23,25).
What are the key properties of methyl N-[5-[(5-chloro-2-methoxybenzoyl)amino]-4-phenyl-1,3-thiazol-2-yl]carbamate?
methyl N-[5-[(5-chloro-2-methoxybenzoyl)amino]-4-phenyl-1,3-thiazol-2-yl]carbamate has a molecular weight of 417.87 g/mol, XLogP of 4.90, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[5-[(5-chloro-2-methoxybenzoyl)amino]-4-phenyl-1,3-thiazol-2-yl]carbamate is sourced from PubChem (CID 121065395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).