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

C18H13ClN2O3S — CID 982681

IUPACmethyl N-[5-(4-chlorobenzoyl)-4-phenyl-1,3-thiazol-2-yl]carbamate
SMILESCOC(=O)Nc1nc(-c2ccccc2)c(C(=O)c2ccc(Cl)cc2)s1
InChIInChI=1S/C18H13ClN2O3S/c1-24-18(23)21-17-20-14(11-5-3-2-4-6-11)16(25-17)15(22)12-7-9-13(19)10-8-12/h2-10H,1H3,(H,20,21,23)
InChIKeyPJFKSQIMKLQERC-UHFFFAOYSA-N
MW372.83 g/mol
LogP4.87
Rot. Bonds4

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

methyl N-[5-(4-chlorobenzoyl)-4-phenyl-1,3-thiazol-2-yl]carbamate (PubChem CID 982681) has the molecular formula C18H13ClN2O3S and a molecular weight of 372.83 g/mol. Its IUPAC name is methyl N-[5-(4-chlorobenzoyl)-4-phenyl-1,3-thiazol-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[5-(4-chlorobenzoyl)-4-phenyl-1,3-thiazol-2-yl]carbamate
PubChem CID982681
Molecular FormulaC18H13ClN2O3S
Molecular Weight372.83 g/mol
Exact Mass372.03
IUPAC Namemethyl N-[5-(4-chlorobenzoyl)-4-phenyl-1,3-thiazol-2-yl]carbamate
SMILESCOC(=O)Nc1nc(-c2ccccc2)c(C(=O)c2ccc(Cl)cc2)s1
InChIInChI=1S/C18H13ClN2O3S/c1-24-18(23)21-17-20-14(11-5-3-2-4-6-11)16(25-17)15(22)12-7-9-13(19)10-8-12/h2-10H,1H3,(H,20,21,23)
InChIKeyPJFKSQIMKLQERC-UHFFFAOYSA-N
XLogP4.87
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.83
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-Chloro-N-(4-phenyl-thiazol-2-yl)-benzamide
CID 697415
N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)benzamide
CID 981611
Ethyl 5-benzoyl-4-phenylthiazol-2-ylcarbamate
CID 7315331
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-chlorobenzamide
CID 733870
(2-Amino-4-phenyl-1,3-thiazol-5-yl)(phenyl)methanone
CID 774758
[4-Amino-2-(4-chloroanilino)-1,3-thiazol-5-yl](4-chlorophenyl)methanone
CID 399620
N-[5-(4-chlorobenzoyl)-4-phenyl-1,3-thiazol-2-yl]benzamide
CID 982683
N-[5-(2,4-difluorobenzoyl)-4-phenyl-1,3-thiazol-2-yl]benzamide
CID 162665401
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)benzamide
CID 4093356
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-4-fluorobenzamide
CID 4625935
N-(5-(4-Methylbenzoyl)-4-phenylthiazol-2-yl)benzamide
CID 46228971
N-[5-benzoyl-4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(4-ethylsulfonylphenyl)acetamide
CID 56848095

Frequently Asked Questions

What is the IUPAC name of methyl N-[5-(4-chlorobenzoyl)-4-phenyl-1,3-thiazol-2-yl]carbamate?
The IUPAC name of methyl N-[5-(4-chlorobenzoyl)-4-phenyl-1,3-thiazol-2-yl]carbamate (CID 982681) is methyl N-[5-(4-chlorobenzoyl)-4-phenyl-1,3-thiazol-2-yl]carbamate.
What is the SMILES notation for methyl N-[5-(4-chlorobenzoyl)-4-phenyl-1,3-thiazol-2-yl]carbamate?
The canonical SMILES for methyl N-[5-(4-chlorobenzoyl)-4-phenyl-1,3-thiazol-2-yl]carbamate is COC(=O)Nc1nc(-c2ccccc2)c(C(=O)c2ccc(Cl)cc2)s1.
What is the InChIKey of methyl N-[5-(4-chlorobenzoyl)-4-phenyl-1,3-thiazol-2-yl]carbamate?
The InChIKey is PJFKSQIMKLQERC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN2O3S/c1-24-18(23)21-17-20-14(11-5-3-2-4-6-11)16(25-17)15(22)12-7-9-13(19)10-8-12/h2-10H,1H3,(H,20,21,23).
What are the key properties of methyl N-[5-(4-chlorobenzoyl)-4-phenyl-1,3-thiazol-2-yl]carbamate?
methyl N-[5-(4-chlorobenzoyl)-4-phenyl-1,3-thiazol-2-yl]carbamate has a molecular weight of 372.83 g/mol, XLogP of 4.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[5-(4-chlorobenzoyl)-4-phenyl-1,3-thiazol-2-yl]carbamate is sourced from PubChem (CID 982681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).