ethyl N-[5-[(5-bromo-2-chlorobenzoyl)amino]-4-phenyl-1,3-thiazol-2-yl]carbamate

C19H15BrClN3O3S — CID 121065544

IUPACethyl N-[5-[(5-bromo-2-chlorobenzoyl)amino]-4-phenyl-1,3-thiazol-2-yl]carbamate
SMILESCCOC(=O)Nc1nc(-c2ccccc2)c(NC(=O)c2cc(Br)ccc2Cl)s1
InChIInChI=1S/C19H15BrClN3O3S/c1-2-27-19(26)24-18-22-15(11-6-4-3-5-7-11)17(28-18)23-16(25)13-10-12(20)8-9-14(13)21/h3-10H,2H2,1H3,(H,23,25)(H,22,24,26)
InChIKeyODONEJNVUDQDPS-UHFFFAOYSA-N
MW480.77 g/mol
LogP6.05
Rot. Bonds5

About ethyl N-[5-[(5-bromo-2-chlorobenzoyl)amino]-4-phenyl-1,3-thiazol-2-yl]carbamate

ethyl N-[5-[(5-bromo-2-chlorobenzoyl)amino]-4-phenyl-1,3-thiazol-2-yl]carbamate (PubChem CID 121065544) has the molecular formula C19H15BrClN3O3S and a molecular weight of 480.77 g/mol. Its IUPAC name is ethyl N-[5-[(5-bromo-2-chlorobenzoyl)amino]-4-phenyl-1,3-thiazol-2-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[5-[(5-bromo-2-chlorobenzoyl)amino]-4-phenyl-1,3-thiazol-2-yl]carbamate
PubChem CID121065544
Molecular FormulaC19H15BrClN3O3S
Molecular Weight480.77 g/mol
Exact Mass478.97
IUPAC Nameethyl N-[5-[(5-bromo-2-chlorobenzoyl)amino]-4-phenyl-1,3-thiazol-2-yl]carbamate
SMILESCCOC(=O)Nc1nc(-c2ccccc2)c(NC(=O)c2cc(Br)ccc2Cl)s1
InChIInChI=1S/C19H15BrClN3O3S/c1-2-27-19(26)24-18-22-15(11-6-4-3-5-7-11)17(28-18)23-16(25)13-10-12(20)8-9-14(13)21/h3-10H,2H2,1H3,(H,23,25)(H,22,24,26)
InChIKeyODONEJNVUDQDPS-UHFFFAOYSA-N
XLogP6.05
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.77
LogP ≤ 56.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl N-[5-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-4-phenyl-1,3-thiazol-2-yl]carbamate
CID 121065632
ethyl N-[5-[(3-methylbenzoyl)amino]-4-phenyl-1,3-thiazol-2-yl]carbamate
CID 121065509
ethyl N-[5-(naphthalene-2-carbonylamino)-4-phenyl-1,3-thiazol-2-yl]carbamate
CID 121065559
ethyl N-[5-[(2-nitrobenzoyl)amino]-4-phenyl-1,3-thiazol-2-yl]carbamate
CID 121065546
methyl N-[5-[(2-bromobenzoyl)amino]-4-phenyl-1,3-thiazol-2-yl]carbamate
CID 121065385
ethyl N-[5-[(4-nitrobenzoyl)amino]-4-phenyl-1,3-thiazol-2-yl]carbamate
CID 121065548
ethyl N-(5-amino-4-phenyl-1,3-thiazol-2-yl)carbamate
CID 58911903
ethyl N-[5-[(4-methyl-3-nitrobenzoyl)amino]-4-phenyl-1,3-thiazol-2-yl]carbamate
CID 121065550
methyl N-[5-[(5-chloro-2-methoxybenzoyl)amino]-4-phenyl-1,3-thiazol-2-yl]carbamate
CID 121065395
N-(5-benzamido-4-phenyl-1,3-thiazol-2-yl)-2-chlorobenzamide
CID 46300012
2,5-dichloro-N-(4,5-diphenyl-1,3-thiazol-2-yl)benzamide
CID 4307755
4-O-ethyl 2-O-methyl 5-[(5-bromo-2-chlorobenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate
CID 1327584

Frequently Asked Questions

What is the IUPAC name of ethyl N-[5-[(5-bromo-2-chlorobenzoyl)amino]-4-phenyl-1,3-thiazol-2-yl]carbamate?
The IUPAC name of ethyl N-[5-[(5-bromo-2-chlorobenzoyl)amino]-4-phenyl-1,3-thiazol-2-yl]carbamate (CID 121065544) is ethyl N-[5-[(5-bromo-2-chlorobenzoyl)amino]-4-phenyl-1,3-thiazol-2-yl]carbamate.
What is the SMILES notation for ethyl N-[5-[(5-bromo-2-chlorobenzoyl)amino]-4-phenyl-1,3-thiazol-2-yl]carbamate?
The canonical SMILES for ethyl N-[5-[(5-bromo-2-chlorobenzoyl)amino]-4-phenyl-1,3-thiazol-2-yl]carbamate is CCOC(=O)Nc1nc(-c2ccccc2)c(NC(=O)c2cc(Br)ccc2Cl)s1.
What is the InChIKey of ethyl N-[5-[(5-bromo-2-chlorobenzoyl)amino]-4-phenyl-1,3-thiazol-2-yl]carbamate?
The InChIKey is ODONEJNVUDQDPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrClN3O3S/c1-2-27-19(26)24-18-22-15(11-6-4-3-5-7-11)17(28-18)23-16(25)13-10-12(20)8-9-14(13)21/h3-10H,2H2,1H3,(H,23,25)(H,22,24,26).
What are the key properties of ethyl N-[5-[(5-bromo-2-chlorobenzoyl)amino]-4-phenyl-1,3-thiazol-2-yl]carbamate?
ethyl N-[5-[(5-bromo-2-chlorobenzoyl)amino]-4-phenyl-1,3-thiazol-2-yl]carbamate has a molecular weight of 480.77 g/mol, XLogP of 6.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[5-[(5-bromo-2-chlorobenzoyl)amino]-4-phenyl-1,3-thiazol-2-yl]carbamate is sourced from PubChem (CID 121065544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).