4-(3-chloropyrazin-2-yl)-N-(5-methyl-1,3-benzothiazol-2-yl)-4-(trifluoromethyl)piperidine-1-carboxamide

C19H17ClF3N5OS — CID 89361894

IUPAC4-(3-chloropyrazin-2-yl)-N-(5-methyl-1,3-benzothiazol-2-yl)-4-(trifluoromethyl)piperidine-1-carboxamide
SMILESCc1ccc2sc(NC(=O)N3CCC(c4nccnc4Cl)(C(F)(F)F)CC3)nc2c1
InChIInChI=1S/C19H17ClF3N5OS/c1-11-2-3-13-12(10-11)26-16(30-13)27-17(29)28-8-4-18(5-9-28,19(21,22)23)14-15(20)25-7-6-24-14/h2-3,6-7,10H,4-5,8-9H2,1H3,(H,26,27,29)
InChIKeyHCRMFHLSRDNWLW-UHFFFAOYSA-N
MW455.89 g/mol
LogP5.18
Rot. Bonds2

About 4-(3-chloropyrazin-2-yl)-N-(5-methyl-1,3-benzothiazol-2-yl)-4-(trifluoromethyl)piperidine-1-carboxamide

4-(3-chloropyrazin-2-yl)-N-(5-methyl-1,3-benzothiazol-2-yl)-4-(trifluoromethyl)piperidine-1-carboxamide (PubChem CID 89361894) has the molecular formula C19H17ClF3N5OS and a molecular weight of 455.89 g/mol. Its IUPAC name is 4-(3-chloropyrazin-2-yl)-N-(5-methyl-1,3-benzothiazol-2-yl)-4-(trifluoromethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(3-chloropyrazin-2-yl)-N-(5-methyl-1,3-benzothiazol-2-yl)-4-(trifluoromethyl)piperidine-1-carboxamide
PubChem CID89361894
Molecular FormulaC19H17ClF3N5OS
Molecular Weight455.89 g/mol
Exact Mass455.08
IUPAC Name4-(3-chloropyrazin-2-yl)-N-(5-methyl-1,3-benzothiazol-2-yl)-4-(trifluoromethyl)piperidine-1-carboxamide
SMILESCc1ccc2sc(NC(=O)N3CCC(c4nccnc4Cl)(C(F)(F)F)CC3)nc2c1
InChIInChI=1S/C19H17ClF3N5OS/c1-11-2-3-13-12(10-11)26-16(30-13)27-17(29)28-8-4-18(5-9-28,19(21,22)23)14-15(20)25-7-6-24-14/h2-3,6-7,10H,4-5,8-9H2,1H3,(H,26,27,29)
InChIKeyHCRMFHLSRDNWLW-UHFFFAOYSA-N
XLogP5.18
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.89
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(3-chloropyrazin-2-yl)-N-(5-methyl-1,3-benzothiazol-2-yl)-4-(trifluoromethyl)piperidine-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

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloropyrazin-2-yl)-N-(5-methyl-1,3-benzothiazol-2-yl)-4-(trifluoromethyl)piperidine-1-carboxamide?
The IUPAC name of 4-(3-chloropyrazin-2-yl)-N-(5-methyl-1,3-benzothiazol-2-yl)-4-(trifluoromethyl)piperidine-1-carboxamide (CID 89361894) is 4-(3-chloropyrazin-2-yl)-N-(5-methyl-1,3-benzothiazol-2-yl)-4-(trifluoromethyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(3-chloropyrazin-2-yl)-N-(5-methyl-1,3-benzothiazol-2-yl)-4-(trifluoromethyl)piperidine-1-carboxamide?
The canonical SMILES for 4-(3-chloropyrazin-2-yl)-N-(5-methyl-1,3-benzothiazol-2-yl)-4-(trifluoromethyl)piperidine-1-carboxamide is Cc1ccc2sc(NC(=O)N3CCC(c4nccnc4Cl)(C(F)(F)F)CC3)nc2c1.
What is the InChIKey of 4-(3-chloropyrazin-2-yl)-N-(5-methyl-1,3-benzothiazol-2-yl)-4-(trifluoromethyl)piperidine-1-carboxamide?
The InChIKey is HCRMFHLSRDNWLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClF3N5OS/c1-11-2-3-13-12(10-11)26-16(30-13)27-17(29)28-8-4-18(5-9-28,19(21,22)23)14-15(20)25-7-6-24-14/h2-3,6-7,10H,4-5,8-9H2,1H3,(H,26,27,29).
What are the key properties of 4-(3-chloropyrazin-2-yl)-N-(5-methyl-1,3-benzothiazol-2-yl)-4-(trifluoromethyl)piperidine-1-carboxamide?
4-(3-chloropyrazin-2-yl)-N-(5-methyl-1,3-benzothiazol-2-yl)-4-(trifluoromethyl)piperidine-1-carboxamide has a molecular weight of 455.89 g/mol, XLogP of 5.18, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloropyrazin-2-yl)-N-(5-methyl-1,3-benzothiazol-2-yl)-4-(trifluoromethyl)piperidine-1-carboxamide is sourced from PubChem (CID 89361894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).