4-chloro-N-(4-methyl-3-nitrosophenyl)-3-(trifluoromethyl)benzamide;5-methyl-N-pyridin-2-yl-1,3-thiazol-2-amine

C24H19ClF3N5O2S — CID 143269656

IUPAC4-chloro-N-(4-methyl-3-nitrosophenyl)-3-(trifluoromethyl)benzamide;5-methyl-N-pyridin-2-yl-1,3-thiazol-2-amine
SMILESCc1ccc(NC(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1N=O.Cc1cnc(Nc2ccccn2)s1
InChIInChI=1S/C15H10ClF3N2O2.C9H9N3S/c1-8-2-4-10(7-13(8)21-23)20-14(22)9-3-5-12(16)11(6-9)15(17,18)19;1-7-6-11-9(13-7)12-8-4-2-3-5-10-8/h2-7H,1H3,(H,20,22);2-6H,1H3,(H,10,11,12)
InChIKeyLGELRGQBFAOPFH-UHFFFAOYSA-N
MW533.96 g/mol
LogP7.91
Rot. Bonds5

About 4-chloro-N-(4-methyl-3-nitrosophenyl)-3-(trifluoromethyl)benzamide;5-methyl-N-pyridin-2-yl-1,3-thiazol-2-amine

4-chloro-N-(4-methyl-3-nitrosophenyl)-3-(trifluoromethyl)benzamide;5-methyl-N-pyridin-2-yl-1,3-thiazol-2-amine (PubChem CID 143269656) has the molecular formula C24H19ClF3N5O2S and a molecular weight of 533.96 g/mol. Its IUPAC name is 4-chloro-N-(4-methyl-3-nitrosophenyl)-3-(trifluoromethyl)benzamide;5-methyl-N-pyridin-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-chloro-N-(4-methyl-3-nitrosophenyl)-3-(trifluoromethyl)benzamide;5-methyl-N-pyridin-2-yl-1,3-thiazol-2-amine
PubChem CID143269656
Molecular FormulaC24H19ClF3N5O2S
Molecular Weight533.96 g/mol
Exact Mass533.09
IUPAC Name4-chloro-N-(4-methyl-3-nitrosophenyl)-3-(trifluoromethyl)benzamide;5-methyl-N-pyridin-2-yl-1,3-thiazol-2-amine
SMILESCc1ccc(NC(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1N=O.Cc1cnc(Nc2ccccn2)s1
InChIInChI=1S/C15H10ClF3N2O2.C9H9N3S/c1-8-2-4-10(7-13(8)21-23)20-14(22)9-3-5-12(16)11(6-9)15(17,18)19;1-7-6-11-9(13-7)12-8-4-2-3-5-10-8/h2-7H,1H3,(H,20,22);2-6H,1H3,(H,10,11,12)
InChIKeyLGELRGQBFAOPFH-UHFFFAOYSA-N
XLogP7.91
TPSA96.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.96
LogP ≤ 57.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-methyl-3-nitrosophenyl)-3-(trifluoromethyl)benzamide;5-methyl-N-pyridin-2-yl-1,3-thiazol-2-amine?
The IUPAC name of 4-chloro-N-(4-methyl-3-nitrosophenyl)-3-(trifluoromethyl)benzamide;5-methyl-N-pyridin-2-yl-1,3-thiazol-2-amine (CID 143269656) is 4-chloro-N-(4-methyl-3-nitrosophenyl)-3-(trifluoromethyl)benzamide;5-methyl-N-pyridin-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-chloro-N-(4-methyl-3-nitrosophenyl)-3-(trifluoromethyl)benzamide;5-methyl-N-pyridin-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for 4-chloro-N-(4-methyl-3-nitrosophenyl)-3-(trifluoromethyl)benzamide;5-methyl-N-pyridin-2-yl-1,3-thiazol-2-amine is Cc1ccc(NC(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1N=O.Cc1cnc(Nc2ccccn2)s1.
What is the InChIKey of 4-chloro-N-(4-methyl-3-nitrosophenyl)-3-(trifluoromethyl)benzamide;5-methyl-N-pyridin-2-yl-1,3-thiazol-2-amine?
The InChIKey is LGELRGQBFAOPFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF3N2O2.C9H9N3S/c1-8-2-4-10(7-13(8)21-23)20-14(22)9-3-5-12(16)11(6-9)15(17,18)19;1-7-6-11-9(13-7)12-8-4-2-3-5-10-8/h2-7H,1H3,(H,20,22);2-6H,1H3,(H,10,11,12).
What are the key properties of 4-chloro-N-(4-methyl-3-nitrosophenyl)-3-(trifluoromethyl)benzamide;5-methyl-N-pyridin-2-yl-1,3-thiazol-2-amine?
4-chloro-N-(4-methyl-3-nitrosophenyl)-3-(trifluoromethyl)benzamide;5-methyl-N-pyridin-2-yl-1,3-thiazol-2-amine has a molecular weight of 533.96 g/mol, XLogP of 7.91, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-methyl-3-nitrosophenyl)-3-(trifluoromethyl)benzamide;5-methyl-N-pyridin-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 143269656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).