2-chloro-3-[4-[(1,3-thiazol-2-ylamino)methyl]cyclohexyl]-5-(trifluoromethyl)benzamide

C18H19ClF3N3OS — CID 142787879

IUPAC2-chloro-3-[4-[(1,3-thiazol-2-ylamino)methyl]cyclohexyl]-5-(trifluoromethyl)benzamide
SMILESNC(=O)c1cc(C(F)(F)F)cc(C2CCC(CNc3nccs3)CC2)c1Cl
InChIInChI=1S/C18H19ClF3N3OS/c19-15-13(7-12(18(20,21)22)8-14(15)16(23)26)11-3-1-10(2-4-11)9-25-17-24-5-6-27-17/h5-8,10-11H,1-4,9H2,(H2,23,26)(H,24,25)
InChIKeyMAUFEIABSOTLSQ-UHFFFAOYSA-N
MW417.88 g/mol
LogP5.30
Rot. Bonds5

About 2-chloro-3-[4-[(1,3-thiazol-2-ylamino)methyl]cyclohexyl]-5-(trifluoromethyl)benzamide

2-chloro-3-[4-[(1,3-thiazol-2-ylamino)methyl]cyclohexyl]-5-(trifluoromethyl)benzamide (PubChem CID 142787879) has the molecular formula C18H19ClF3N3OS and a molecular weight of 417.88 g/mol. Its IUPAC name is 2-chloro-3-[4-[(1,3-thiazol-2-ylamino)methyl]cyclohexyl]-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-chloro-3-[4-[(1,3-thiazol-2-ylamino)methyl]cyclohexyl]-5-(trifluoromethyl)benzamide
PubChem CID142787879
Molecular FormulaC18H19ClF3N3OS
Molecular Weight417.88 g/mol
Exact Mass417.09
IUPAC Name2-chloro-3-[4-[(1,3-thiazol-2-ylamino)methyl]cyclohexyl]-5-(trifluoromethyl)benzamide
SMILESNC(=O)c1cc(C(F)(F)F)cc(C2CCC(CNc3nccs3)CC2)c1Cl
InChIInChI=1S/C18H19ClF3N3OS/c19-15-13(7-12(18(20,21)22)8-14(15)16(23)26)11-3-1-10(2-4-11)9-25-17-24-5-6-27-17/h5-8,10-11H,1-4,9H2,(H2,23,26)(H,24,25)
InChIKeyMAUFEIABSOTLSQ-UHFFFAOYSA-N
XLogP5.30
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.88
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-chloro-3-[4-[(1,3-thiazol-2-ylamino)methyl]cyclohexyl]-5-(trifluoromethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-[4-[(1,3-thiazol-2-ylamino)methyl]cyclohexyl]-5-(trifluoromethyl)benzamide?
The IUPAC name of 2-chloro-3-[4-[(1,3-thiazol-2-ylamino)methyl]cyclohexyl]-5-(trifluoromethyl)benzamide (CID 142787879) is 2-chloro-3-[4-[(1,3-thiazol-2-ylamino)methyl]cyclohexyl]-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-chloro-3-[4-[(1,3-thiazol-2-ylamino)methyl]cyclohexyl]-5-(trifluoromethyl)benzamide?
The canonical SMILES for 2-chloro-3-[4-[(1,3-thiazol-2-ylamino)methyl]cyclohexyl]-5-(trifluoromethyl)benzamide is NC(=O)c1cc(C(F)(F)F)cc(C2CCC(CNc3nccs3)CC2)c1Cl.
What is the InChIKey of 2-chloro-3-[4-[(1,3-thiazol-2-ylamino)methyl]cyclohexyl]-5-(trifluoromethyl)benzamide?
The InChIKey is MAUFEIABSOTLSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClF3N3OS/c19-15-13(7-12(18(20,21)22)8-14(15)16(23)26)11-3-1-10(2-4-11)9-25-17-24-5-6-27-17/h5-8,10-11H,1-4,9H2,(H2,23,26)(H,24,25).
What are the key properties of 2-chloro-3-[4-[(1,3-thiazol-2-ylamino)methyl]cyclohexyl]-5-(trifluoromethyl)benzamide?
2-chloro-3-[4-[(1,3-thiazol-2-ylamino)methyl]cyclohexyl]-5-(trifluoromethyl)benzamide has a molecular weight of 417.88 g/mol, XLogP of 5.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-[4-[(1,3-thiazol-2-ylamino)methyl]cyclohexyl]-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 142787879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).