N-(5-chloro-2-methoxyphenyl)-2-[4-(trifluoromethoxy)anilino]-1,3-thiazole-4-carboxamide

C18H13ClF3N3O3S — CID 16955295

IUPACN-(5-chloro-2-methoxyphenyl)-2-[4-(trifluoromethoxy)anilino]-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1csc(Nc2ccc(OC(F)(F)F)cc2)n1
InChIInChI=1S/C18H13ClF3N3O3S/c1-27-15-7-2-10(19)8-13(15)24-16(26)14-9-29-17(25-14)23-11-3-5-12(6-4-11)28-18(20,21)22/h2-9H,1H3,(H,23,25)(H,24,26)
InChIKeyIBFVRNKTSSLBFE-UHFFFAOYSA-N
MW443.83 g/mol
LogP5.70
Rot. Bonds6

About N-(5-chloro-2-methoxyphenyl)-2-[4-(trifluoromethoxy)anilino]-1,3-thiazole-4-carboxamide

N-(5-chloro-2-methoxyphenyl)-2-[4-(trifluoromethoxy)anilino]-1,3-thiazole-4-carboxamide (PubChem CID 16955295) has the molecular formula C18H13ClF3N3O3S and a molecular weight of 443.83 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-[4-(trifluoromethoxy)anilino]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-[4-(trifluoromethoxy)anilino]-1,3-thiazole-4-carboxamide
PubChem CID16955295
Molecular FormulaC18H13ClF3N3O3S
Molecular Weight443.83 g/mol
Exact Mass443.03
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-[4-(trifluoromethoxy)anilino]-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1csc(Nc2ccc(OC(F)(F)F)cc2)n1
InChIInChI=1S/C18H13ClF3N3O3S/c1-27-15-7-2-10(19)8-13(15)24-16(26)14-9-29-17(25-14)23-11-3-5-12(6-4-11)28-18(20,21)22/h2-9H,1H3,(H,23,25)(H,24,26)
InChIKeyIBFVRNKTSSLBFE-UHFFFAOYSA-N
XLogP5.70
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.83
LogP ≤ 55.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-2-(3,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide
CID 16955450
N-(5-chloro-2-methoxyphenyl)-2-(4-ethoxyanilino)-1,3-thiazole-4-carboxamide
CID 16954939
N-(5-chloro-2-methoxyphenyl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide
CID 90506025
dimethyl 2-[[2-[4-(trifluoromethoxy)anilino]-1,3-thiazole-4-carbonyl]amino]benzene-1,4-dicarboxylate
CID 16955297
N-(4-bromo-2-methylphenyl)-2-[4-(trifluoromethoxy)anilino]-1,3-thiazole-4-carboxamide
CID 16955294
N-(5-acetamido-2-methoxyphenyl)-2-(3,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide
CID 16821159
N-(4-ethoxyphenyl)-2-[4-(trifluoromethoxy)anilino]-1,3-thiazole-4-carboxamide
CID 16955260
2-(2,4-dimethoxyanilino)-N-[2-methoxy-5-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 16955157
N-(3-methylsulfanylphenyl)-2-[4-(trifluoromethoxy)anilino]-1,3-thiazole-4-carboxamide
CID 16955322
N-(2-chlorophenyl)-2-(3,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide
CID 16955416
N-(2,5-dimethoxyphenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-1,3-thiazole-4-carboxamide
CID 90506217
2-(5-chloro-2-methoxyanilino)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 26506775

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[4-(trifluoromethoxy)anilino]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[4-(trifluoromethoxy)anilino]-1,3-thiazole-4-carboxamide (CID 16955295) is N-(5-chloro-2-methoxyphenyl)-2-[4-(trifluoromethoxy)anilino]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-[4-(trifluoromethoxy)anilino]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-[4-(trifluoromethoxy)anilino]-1,3-thiazole-4-carboxamide is COc1ccc(Cl)cc1NC(=O)c1csc(Nc2ccc(OC(F)(F)F)cc2)n1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-[4-(trifluoromethoxy)anilino]-1,3-thiazole-4-carboxamide?
The InChIKey is IBFVRNKTSSLBFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClF3N3O3S/c1-27-15-7-2-10(19)8-13(15)24-16(26)14-9-29-17(25-14)23-11-3-5-12(6-4-11)28-18(20,21)22/h2-9H,1H3,(H,23,25)(H,24,26).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-[4-(trifluoromethoxy)anilino]-1,3-thiazole-4-carboxamide?
N-(5-chloro-2-methoxyphenyl)-2-[4-(trifluoromethoxy)anilino]-1,3-thiazole-4-carboxamide has a molecular weight of 443.83 g/mol, XLogP of 5.70, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2-[4-(trifluoromethoxy)anilino]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 16955295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).