N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-(trifluoromethoxy)benzamide

C17H10ClF3N2O2S — CID 4660471

IUPACN-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-(trifluoromethoxy)benzamide
SMILESO=C(Nc1nc(-c2ccc(Cl)cc2)cs1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H10ClF3N2O2S/c18-12-5-1-10(2-6-12)14-9-26-16(22-14)23-15(24)11-3-7-13(8-4-11)25-17(19,20)21/h1-9H,(H,22,23,24)
InChIKeyQCIFYZIRBKFURP-UHFFFAOYSA-N
MW398.79 g/mol
LogP5.61
Rot. Bonds4

About N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-(trifluoromethoxy)benzamide

N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-(trifluoromethoxy)benzamide (PubChem CID 4660471) has the molecular formula C17H10ClF3N2O2S and a molecular weight of 398.79 g/mol. Its IUPAC name is N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-(trifluoromethoxy)benzamide
PubChem CID4660471
Molecular FormulaC17H10ClF3N2O2S
Molecular Weight398.79 g/mol
Exact Mass398.01
IUPAC NameN-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-(trifluoromethoxy)benzamide
SMILESO=C(Nc1nc(-c2ccc(Cl)cc2)cs1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H10ClF3N2O2S/c18-12-5-1-10(2-6-12)14-9-26-16(22-14)23-15(24)11-3-7-13(8-4-11)25-17(19,20)21/h1-9H,(H,22,23,24)
InChIKeyQCIFYZIRBKFURP-UHFFFAOYSA-N
XLogP5.61
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.79
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-[4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]carbamoyl]phenoxy]benzamide
CID 3542120
N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-4-(trifluoromethoxy)benzamide
CID 16561580
N-[4-(4-cyclohexylphenyl)-1,3-thiazol-2-yl]-4-(trifluoromethoxy)benzamide
CID 2498919
4-chloro-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide
CID 2332435
4-acetamido-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]benzamide
CID 7923619
4-(4-chlorophenyl)-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine
CID 4149421
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-(trifluoromethoxy)benzamide
CID 8534106
2-bromo-N-[4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]acetamide
CID 87665224
3,4-difluoro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 30435747
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-(trifluoromethyl)benzamide
CID 7948246
N'-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-methoxybenzohydrazide
CID 1497726
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-[4-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]carbamoyl]phenoxy]benzamide
CID 5212539

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-(trifluoromethoxy)benzamide?
The IUPAC name of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-(trifluoromethoxy)benzamide (CID 4660471) is N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-(trifluoromethoxy)benzamide is O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-(trifluoromethoxy)benzamide?
The InChIKey is QCIFYZIRBKFURP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClF3N2O2S/c18-12-5-1-10(2-6-12)14-9-26-16(22-14)23-15(24)11-3-7-13(8-4-11)25-17(19,20)21/h1-9H,(H,22,23,24).
What are the key properties of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-(trifluoromethoxy)benzamide?
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-(trifluoromethoxy)benzamide has a molecular weight of 398.79 g/mol, XLogP of 5.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 4660471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).