2-chloro-N-[2-(4-cyclopropyl-1,3-thiazol-5-yl)-2-(4,4-difluoropiperidin-1-yl)ethyl]-6-fluorobenzamide

C20H21ClF3N3OS — CID 118303085

IUPAC2-chloro-N-[2-(4-cyclopropyl-1,3-thiazol-5-yl)-2-(4,4-difluoropiperidin-1-yl)ethyl]-6-fluorobenzamide
SMILESO=C(NCC(c1scnc1C1CC1)N1CCC(F)(F)CC1)c1c(F)cccc1Cl
InChIInChI=1S/C20H21ClF3N3OS/c21-13-2-1-3-14(22)16(13)19(28)25-10-15(27-8-6-20(23,24)7-9-27)18-17(12-4-5-12)26-11-29-18/h1-3,11-12,15H,4-10H2,(H,25,28)
InChIKeyLAASHXWJHUQKAE-UHFFFAOYSA-N
MW443.92 g/mol
LogP5.02
Rot. Bonds6

About 2-chloro-N-[2-(4-cyclopropyl-1,3-thiazol-5-yl)-2-(4,4-difluoropiperidin-1-yl)ethyl]-6-fluorobenzamide

2-chloro-N-[2-(4-cyclopropyl-1,3-thiazol-5-yl)-2-(4,4-difluoropiperidin-1-yl)ethyl]-6-fluorobenzamide (PubChem CID 118303085) has the molecular formula C20H21ClF3N3OS and a molecular weight of 443.92 g/mol. Its IUPAC name is 2-chloro-N-[2-(4-cyclopropyl-1,3-thiazol-5-yl)-2-(4,4-difluoropiperidin-1-yl)ethyl]-6-fluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-[2-(4-cyclopropyl-1,3-thiazol-5-yl)-2-(4,4-difluoropiperidin-1-yl)ethyl]-6-fluorobenzamide
PubChem CID118303085
Molecular FormulaC20H21ClF3N3OS
Molecular Weight443.92 g/mol
Exact Mass443.10
IUPAC Name2-chloro-N-[2-(4-cyclopropyl-1,3-thiazol-5-yl)-2-(4,4-difluoropiperidin-1-yl)ethyl]-6-fluorobenzamide
SMILESO=C(NCC(c1scnc1C1CC1)N1CCC(F)(F)CC1)c1c(F)cccc1Cl
InChIInChI=1S/C20H21ClF3N3OS/c21-13-2-1-3-14(22)16(13)19(28)25-10-15(27-8-6-20(23,24)7-9-27)18-17(12-4-5-12)26-11-29-18/h1-3,11-12,15H,4-10H2,(H,25,28)
InChIKeyLAASHXWJHUQKAE-UHFFFAOYSA-N
XLogP5.02
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.92
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-chloro-N-[2-(4-cyclopropyl-1,3-thiazol-5-yl)-2-(4,4-difluoropiperidin-1-yl)ethyl]-6-fluorobenzamide 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-N-[2-(4-cyclopropyl-1,3-thiazol-5-yl)-2-(4,4-difluoropiperidin-1-yl)ethyl]-6-fluorobenzamide?
The IUPAC name of 2-chloro-N-[2-(4-cyclopropyl-1,3-thiazol-5-yl)-2-(4,4-difluoropiperidin-1-yl)ethyl]-6-fluorobenzamide (CID 118303085) is 2-chloro-N-[2-(4-cyclopropyl-1,3-thiazol-5-yl)-2-(4,4-difluoropiperidin-1-yl)ethyl]-6-fluorobenzamide.
What is the SMILES notation for 2-chloro-N-[2-(4-cyclopropyl-1,3-thiazol-5-yl)-2-(4,4-difluoropiperidin-1-yl)ethyl]-6-fluorobenzamide?
The canonical SMILES for 2-chloro-N-[2-(4-cyclopropyl-1,3-thiazol-5-yl)-2-(4,4-difluoropiperidin-1-yl)ethyl]-6-fluorobenzamide is O=C(NCC(c1scnc1C1CC1)N1CCC(F)(F)CC1)c1c(F)cccc1Cl.
What is the InChIKey of 2-chloro-N-[2-(4-cyclopropyl-1,3-thiazol-5-yl)-2-(4,4-difluoropiperidin-1-yl)ethyl]-6-fluorobenzamide?
The InChIKey is LAASHXWJHUQKAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClF3N3OS/c21-13-2-1-3-14(22)16(13)19(28)25-10-15(27-8-6-20(23,24)7-9-27)18-17(12-4-5-12)26-11-29-18/h1-3,11-12,15H,4-10H2,(H,25,28).
What are the key properties of 2-chloro-N-[2-(4-cyclopropyl-1,3-thiazol-5-yl)-2-(4,4-difluoropiperidin-1-yl)ethyl]-6-fluorobenzamide?
2-chloro-N-[2-(4-cyclopropyl-1,3-thiazol-5-yl)-2-(4,4-difluoropiperidin-1-yl)ethyl]-6-fluorobenzamide has a molecular weight of 443.92 g/mol, XLogP of 5.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(4-cyclopropyl-1,3-thiazol-5-yl)-2-(4,4-difluoropiperidin-1-yl)ethyl]-6-fluorobenzamide is sourced from PubChem (CID 118303085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).