4-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-N-(5-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide

C15H15ClF3N5OS — CID 162644305

IUPAC4-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-N-(5-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide
SMILESCc1cnc(NC(=O)N2CCN(c3cc(C(F)(F)F)c(Cl)cn3)CC2)s1
InChIInChI=1S/C15H15ClF3N5OS/c1-9-7-21-13(26-9)22-14(25)24-4-2-23(3-5-24)12-6-10(15(17,18)19)11(16)8-20-12/h6-8H,2-5H2,1H3,(H,21,22,25)
InChIKeyAVNWGGIBEVRRLE-UHFFFAOYSA-N
MW405.83 g/mol
LogP3.87
Rot. Bonds2

About 4-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-N-(5-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide

4-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-N-(5-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide (PubChem CID 162644305) has the molecular formula C15H15ClF3N5OS and a molecular weight of 405.83 g/mol. Its IUPAC name is 4-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-N-(5-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-N-(5-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide
PubChem CID162644305
Molecular FormulaC15H15ClF3N5OS
Molecular Weight405.83 g/mol
Exact Mass405.06
IUPAC Name4-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-N-(5-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide
SMILESCc1cnc(NC(=O)N2CCN(c3cc(C(F)(F)F)c(Cl)cn3)CC2)s1
InChIInChI=1S/C15H15ClF3N5OS/c1-9-7-21-13(26-9)22-14(25)24-4-2-23(3-5-24)12-6-10(15(17,18)19)11(16)8-20-12/h6-8H,2-5H2,1H3,(H,21,22,25)
InChIKeyAVNWGGIBEVRRLE-UHFFFAOYSA-N
XLogP3.87
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.83
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-N-(5-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(1,3-Thiazol-2-yl)pyridin-2-amine 15
CID 5329328
N-(1,3-Thiazol-2-yl)pyridin-2-amine 18
CID 5329331
N-(1,3-Thiazol-2-yl)pyridin-2-amine 19
CID 5329332
4-(2-(5-Cyanothiazol-2-ylamino)pyridin-4-ylmethyl)piperazine-1-carboxylic acid methylamide
CID 5329333
N-(1,3-Thiazol-2-yl)pyridin-2-amine 23
CID 5329336
N-(4-tert-butyl-1,3-thiazol-2-yl)-4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepane-1-carboxamide
CID 25266390
4-(5,6-dichloro-3-pyridinyl)-N-(5-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 145420108
N-(5-chloro-1,3-thiazol-2-yl)-4-(5-cyano-4-methyl-2-pyridinyl)piperazine-1-carboxamide
CID 145420157
N-(5-chloro-1,3-thiazol-2-yl)-4-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
CID 162643128
HIV-1 inhibitor-35
CID 162644158
N-(5-cyano-1,3-thiazol-2-yl)-4-(5,6-dichloro-3-pyridinyl)piperazine-1-carboxamide
CID 162668787
4-(5,6-dichloro-3-pyridinyl)-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide
CID 162675465

Frequently Asked Questions

What is the IUPAC name of 4-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-N-(5-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide?
The IUPAC name of 4-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-N-(5-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide (CID 162644305) is 4-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-N-(5-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-N-(5-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide?
The canonical SMILES for 4-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-N-(5-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide is Cc1cnc(NC(=O)N2CCN(c3cc(C(F)(F)F)c(Cl)cn3)CC2)s1.
What is the InChIKey of 4-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-N-(5-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide?
The InChIKey is AVNWGGIBEVRRLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClF3N5OS/c1-9-7-21-13(26-9)22-14(25)24-4-2-23(3-5-24)12-6-10(15(17,18)19)11(16)8-20-12/h6-8H,2-5H2,1H3,(H,21,22,25).
What are the key properties of 4-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-N-(5-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide?
4-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-N-(5-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide has a molecular weight of 405.83 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-N-(5-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide is sourced from PubChem (CID 162644305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).