N-[5-(2-chloro-6-methyl-4-pyridinyl)-4-(3-cyanophenyl)-1,3-thiazol-2-yl]-4-cyano-4-methylpiperidine-1-carboxamide

C24H21ClN6OS — CID 162688117

IUPACN-[5-(2-chloro-6-methyl-4-pyridinyl)-4-(3-cyanophenyl)-1,3-thiazol-2-yl]-4-cyano-4-methylpiperidine-1-carboxamide
SMILESCc1cc(-c2sc(NC(=O)N3CCC(C)(C#N)CC3)nc2-c2cccc(C#N)c2)cc(Cl)n1
InChIInChI=1S/C24H21ClN6OS/c1-15-10-18(12-19(25)28-15)21-20(17-5-3-4-16(11-17)13-26)29-22(33-21)30-23(32)31-8-6-24(2,14-27)7-9-31/h3-5,10-12H,6-9H2,1-2H3,(H,29,30,32)
InChIKeyCWGOZRPOIYGCEC-UHFFFAOYSA-N
MW476.99 g/mol
LogP5.86
Rot. Bonds3

About N-[5-(2-chloro-6-methyl-4-pyridinyl)-4-(3-cyanophenyl)-1,3-thiazol-2-yl]-4-cyano-4-methylpiperidine-1-carboxamide

N-[5-(2-chloro-6-methyl-4-pyridinyl)-4-(3-cyanophenyl)-1,3-thiazol-2-yl]-4-cyano-4-methylpiperidine-1-carboxamide (PubChem CID 162688117) has the molecular formula C24H21ClN6OS and a molecular weight of 476.99 g/mol. Its IUPAC name is N-[5-(2-chloro-6-methyl-4-pyridinyl)-4-(3-cyanophenyl)-1,3-thiazol-2-yl]-4-cyano-4-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[5-(2-chloro-6-methyl-4-pyridinyl)-4-(3-cyanophenyl)-1,3-thiazol-2-yl]-4-cyano-4-methylpiperidine-1-carboxamide
PubChem CID162688117
Molecular FormulaC24H21ClN6OS
Molecular Weight476.99 g/mol
Exact Mass476.12
IUPAC NameN-[5-(2-chloro-6-methyl-4-pyridinyl)-4-(3-cyanophenyl)-1,3-thiazol-2-yl]-4-cyano-4-methylpiperidine-1-carboxamide
SMILESCc1cc(-c2sc(NC(=O)N3CCC(C)(C#N)CC3)nc2-c2cccc(C#N)c2)cc(Cl)n1
InChIInChI=1S/C24H21ClN6OS/c1-15-10-18(12-19(25)28-15)21-20(17-5-3-4-16(11-17)13-26)29-22(33-21)30-23(32)31-8-6-24(2,14-27)7-9-31/h3-5,10-12H,6-9H2,1-2H3,(H,29,30,32)
InChIKeyCWGOZRPOIYGCEC-UHFFFAOYSA-N
XLogP5.86
TPSA105.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.99
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[5-(2-chloro-6-methyl-4-pyridinyl)-4-(3-cyanophenyl)-1,3-thiazol-2-yl]-4-cyano-4-methylpiperidine-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 N-[5-(2-chloro-6-methyl-4-pyridinyl)-4-(3-cyanophenyl)-1,3-thiazol-2-yl]-4-cyano-4-methylpiperidine-1-carboxamide?
The IUPAC name of N-[5-(2-chloro-6-methyl-4-pyridinyl)-4-(3-cyanophenyl)-1,3-thiazol-2-yl]-4-cyano-4-methylpiperidine-1-carboxamide (CID 162688117) is N-[5-(2-chloro-6-methyl-4-pyridinyl)-4-(3-cyanophenyl)-1,3-thiazol-2-yl]-4-cyano-4-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-[5-(2-chloro-6-methyl-4-pyridinyl)-4-(3-cyanophenyl)-1,3-thiazol-2-yl]-4-cyano-4-methylpiperidine-1-carboxamide?
The canonical SMILES for N-[5-(2-chloro-6-methyl-4-pyridinyl)-4-(3-cyanophenyl)-1,3-thiazol-2-yl]-4-cyano-4-methylpiperidine-1-carboxamide is Cc1cc(-c2sc(NC(=O)N3CCC(C)(C#N)CC3)nc2-c2cccc(C#N)c2)cc(Cl)n1.
What is the InChIKey of N-[5-(2-chloro-6-methyl-4-pyridinyl)-4-(3-cyanophenyl)-1,3-thiazol-2-yl]-4-cyano-4-methylpiperidine-1-carboxamide?
The InChIKey is CWGOZRPOIYGCEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN6OS/c1-15-10-18(12-19(25)28-15)21-20(17-5-3-4-16(11-17)13-26)29-22(33-21)30-23(32)31-8-6-24(2,14-27)7-9-31/h3-5,10-12H,6-9H2,1-2H3,(H,29,30,32).
What are the key properties of N-[5-(2-chloro-6-methyl-4-pyridinyl)-4-(3-cyanophenyl)-1,3-thiazol-2-yl]-4-cyano-4-methylpiperidine-1-carboxamide?
N-[5-(2-chloro-6-methyl-4-pyridinyl)-4-(3-cyanophenyl)-1,3-thiazol-2-yl]-4-cyano-4-methylpiperidine-1-carboxamide has a molecular weight of 476.99 g/mol, XLogP of 5.86, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-chloro-6-methyl-4-pyridinyl)-4-(3-cyanophenyl)-1,3-thiazol-2-yl]-4-cyano-4-methylpiperidine-1-carboxamide is sourced from PubChem (CID 162688117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).