4-(5,6-dichloro-3-pyridinyl)-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide

C14H12Cl2F3N5OS — CID 162675465

IUPAC4-(5,6-dichloro-3-pyridinyl)-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide
SMILESO=C(Nc1ncc(C(F)(F)F)s1)N1CCN(c2cnc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C14H12Cl2F3N5OS/c15-9-5-8(6-20-11(9)16)23-1-3-24(4-2-23)13(25)22-12-21-7-10(26-12)14(17,18)19/h5-7H,1-4H2,(H,21,22,25)
InChIKeyKGBOLJPWGFMCQF-UHFFFAOYSA-N
MW426.25 g/mol
LogP4.22
Rot. Bonds2

About 4-(5,6-dichloro-3-pyridinyl)-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide

4-(5,6-dichloro-3-pyridinyl)-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide (PubChem CID 162675465) has the molecular formula C14H12Cl2F3N5OS and a molecular weight of 426.25 g/mol. Its IUPAC name is 4-(5,6-dichloro-3-pyridinyl)-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(5,6-dichloro-3-pyridinyl)-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide
PubChem CID162675465
Molecular FormulaC14H12Cl2F3N5OS
Molecular Weight426.25 g/mol
Exact Mass425.01
IUPAC Name4-(5,6-dichloro-3-pyridinyl)-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide
SMILESO=C(Nc1ncc(C(F)(F)F)s1)N1CCN(c2cnc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C14H12Cl2F3N5OS/c15-9-5-8(6-20-11(9)16)23-1-3-24(4-2-23)13(25)22-12-21-7-10(26-12)14(17,18)19/h5-7H,1-4H2,(H,21,22,25)
InChIKeyKGBOLJPWGFMCQF-UHFFFAOYSA-N
XLogP4.22
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.25
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 4-(5,6-dichloro-3-pyridinyl)-N-[5-(trifluoromethyl)-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

4-(3,4-dichlorophenyl)-N-(5-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 145420100
4-(5,6-dichloro-3-pyridinyl)-N-(5-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 145420108
N-(5-cyano-1,3-thiazol-2-yl)-4-(3,4-dichlorophenyl)piperazine-1-carboxamide
CID 145420109
N-(5-chloro-1,3-thiazol-2-yl)-4-(3,4-dichlorophenyl)piperazine-1-carboxamide
CID 145420156
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
4-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-N-(5-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 162644305
4-(4-chlorophenyl)-N-(5-chloro-1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 162665276
N-(5-cyano-1,3-thiazol-2-yl)-4-(5,6-dichloro-3-pyridinyl)piperazine-1-carboxamide
CID 162668787
N-(5-chloro-1,3-thiazol-2-yl)-4-(6-cyano-5-methyl-3-pyridinyl)piperazine-1-carboxamide
CID 162675967
4-(4-chlorophenyl)-N-(5-cyano-1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 162643185
4-(4-chlorophenyl)-N-(5-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 162665773

Frequently Asked Questions

What is the IUPAC name of 4-(5,6-dichloro-3-pyridinyl)-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide?
The IUPAC name of 4-(5,6-dichloro-3-pyridinyl)-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide (CID 162675465) is 4-(5,6-dichloro-3-pyridinyl)-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(5,6-dichloro-3-pyridinyl)-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide?
The canonical SMILES for 4-(5,6-dichloro-3-pyridinyl)-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide is O=C(Nc1ncc(C(F)(F)F)s1)N1CCN(c2cnc(Cl)c(Cl)c2)CC1.
What is the InChIKey of 4-(5,6-dichloro-3-pyridinyl)-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide?
The InChIKey is KGBOLJPWGFMCQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2F3N5OS/c15-9-5-8(6-20-11(9)16)23-1-3-24(4-2-23)13(25)22-12-21-7-10(26-12)14(17,18)19/h5-7H,1-4H2,(H,21,22,25).
What are the key properties of 4-(5,6-dichloro-3-pyridinyl)-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide?
4-(5,6-dichloro-3-pyridinyl)-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide has a molecular weight of 426.25 g/mol, XLogP of 4.22, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,6-dichloro-3-pyridinyl)-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide is sourced from PubChem (CID 162675465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).