(2-chloro-4-phenylphenyl) 2-acetamido-1,3-thiazole-4-carboxylate

C18H13ClN2O3S — CID 60502125

IUPAC(2-chloro-4-phenylphenyl) 2-acetamido-1,3-thiazole-4-carboxylate
SMILESCC(=O)Nc1nc(C(=O)Oc2ccc(-c3ccccc3)cc2Cl)cs1
InChIInChI=1S/C18H13ClN2O3S/c1-11(22)20-18-21-15(10-25-18)17(23)24-16-8-7-13(9-14(16)19)12-5-3-2-4-6-12/h2-10H,1H3,(H,20,21,22)
InChIKeyJIRQWWZDSMWYBF-UHFFFAOYSA-N
MW372.83 g/mol
LogP4.64
Rot. Bonds4

About (2-chloro-4-phenylphenyl) 2-acetamido-1,3-thiazole-4-carboxylate

(2-chloro-4-phenylphenyl) 2-acetamido-1,3-thiazole-4-carboxylate (PubChem CID 60502125) has the molecular formula C18H13ClN2O3S and a molecular weight of 372.83 g/mol. Its IUPAC name is (2-chloro-4-phenylphenyl) 2-acetamido-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Name(2-chloro-4-phenylphenyl) 2-acetamido-1,3-thiazole-4-carboxylate
PubChem CID60502125
Molecular FormulaC18H13ClN2O3S
Molecular Weight372.83 g/mol
Exact Mass372.03
IUPAC Name(2-chloro-4-phenylphenyl) 2-acetamido-1,3-thiazole-4-carboxylate
SMILESCC(=O)Nc1nc(C(=O)Oc2ccc(-c3ccccc3)cc2Cl)cs1
InChIInChI=1S/C18H13ClN2O3S/c1-11(22)20-18-21-15(10-25-18)17(23)24-16-8-7-13(9-14(16)19)12-5-3-2-4-6-12/h2-10H,1H3,(H,20,21,22)
InChIKeyJIRQWWZDSMWYBF-UHFFFAOYSA-N
XLogP4.64
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 ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[1-(2-chloroanilino)-1-oxopropan-2-yl] 2-acetamido-1,3-thiazole-4-carboxylate
CID 46605270
[2-(1,3-benzothiazol-2-yl)phenyl] 2-acetamido-1,3-thiazole-4-carboxylate
CID 75404025
N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 55447891
(1,3-dioxoisoindol-2-yl)methyl 2-acetamido-1,3-thiazole-4-carboxylate
CID 46605544
(3-chlorophenyl)methyl 2-acetamido-1,3-thiazole-4-carboxylate
CID 46604902
[2-[3-chloro-4-(difluoromethoxy)anilino]-2-oxoethyl] 2-acetamido-1,3-thiazole-4-carboxylate
CID 46604962
2-(2,4-dichlorophenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 2917163
3-(3,4-dimethoxyphenyl)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]propanamide
CID 19220711
N-(4-acetyl-1,3-thiazol-2-yl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 51262518
ethyl 2-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]-1,3-thiazole-4-carboxylate
CID 51205241
2-(2-bromo-4-phenylphenoxy)-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 19196780
5-(2-chloro-4-phenylphenoxy)pentan-2-one
CID 62029499

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-phenylphenyl) 2-acetamido-1,3-thiazole-4-carboxylate?
The IUPAC name of (2-chloro-4-phenylphenyl) 2-acetamido-1,3-thiazole-4-carboxylate (CID 60502125) is (2-chloro-4-phenylphenyl) 2-acetamido-1,3-thiazole-4-carboxylate.
What is the SMILES notation for (2-chloro-4-phenylphenyl) 2-acetamido-1,3-thiazole-4-carboxylate?
The canonical SMILES for (2-chloro-4-phenylphenyl) 2-acetamido-1,3-thiazole-4-carboxylate is CC(=O)Nc1nc(C(=O)Oc2ccc(-c3ccccc3)cc2Cl)cs1.
What is the InChIKey of (2-chloro-4-phenylphenyl) 2-acetamido-1,3-thiazole-4-carboxylate?
The InChIKey is JIRQWWZDSMWYBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN2O3S/c1-11(22)20-18-21-15(10-25-18)17(23)24-16-8-7-13(9-14(16)19)12-5-3-2-4-6-12/h2-10H,1H3,(H,20,21,22).
What are the key properties of (2-chloro-4-phenylphenyl) 2-acetamido-1,3-thiazole-4-carboxylate?
(2-chloro-4-phenylphenyl) 2-acetamido-1,3-thiazole-4-carboxylate has a molecular weight of 372.83 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-phenylphenyl) 2-acetamido-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 60502125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).