N-[(R)-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-cyclohexylmethyl]-1,3-thiazole-2-carboxamide

C22H24ClN5OS — CID 118204308

IUPACN-[(R)-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-cyclohexylmethyl]-1,3-thiazole-2-carboxamide
SMILESCc1ccc(Nc2ncc([C@H](NC(=O)c3nccs3)C3CCCCC3)cc2Cl)cn1
InChIInChI=1S/C22H24ClN5OS/c1-14-7-8-17(13-25-14)27-20-18(23)11-16(12-26-20)19(15-5-3-2-4-6-15)28-21(29)22-24-9-10-30-22/h7-13,15,19H,2-6H2,1H3,(H,26,27)(H,28,29)/t19-/m1/s1
InChIKeyKLJGHEAFIHJOQP-LJQANCHMSA-N
MW441.99 g/mol
LogP5.69
Rot. Bonds6

About N-[(R)-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-cyclohexylmethyl]-1,3-thiazole-2-carboxamide

N-[(R)-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-cyclohexylmethyl]-1,3-thiazole-2-carboxamide (PubChem CID 118204308) has the molecular formula C22H24ClN5OS and a molecular weight of 441.99 g/mol. Its IUPAC name is N-[(R)-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-cyclohexylmethyl]-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-[(R)-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-cyclohexylmethyl]-1,3-thiazole-2-carboxamide
PubChem CID118204308
Molecular FormulaC22H24ClN5OS
Molecular Weight441.99 g/mol
Exact Mass441.14
IUPAC NameN-[(R)-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-cyclohexylmethyl]-1,3-thiazole-2-carboxamide
SMILESCc1ccc(Nc2ncc([C@H](NC(=O)c3nccs3)C3CCCCC3)cc2Cl)cn1
InChIInChI=1S/C22H24ClN5OS/c1-14-7-8-17(13-25-14)27-20-18(23)11-16(12-26-20)19(15-5-3-2-4-6-15)28-21(29)22-24-9-10-30-22/h7-13,15,19H,2-6H2,1H3,(H,26,27)(H,28,29)/t19-/m1/s1
InChIKeyKLJGHEAFIHJOQP-LJQANCHMSA-N
XLogP5.69
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.99
LogP ≤ 55.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(R)-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-cyclohexylmethyl]-1,3-thiazole-2-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-[(R)-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-cyclohexylmethyl]-1,3-thiazole-2-carboxamide?
The IUPAC name of N-[(R)-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-cyclohexylmethyl]-1,3-thiazole-2-carboxamide (CID 118204308) is N-[(R)-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-cyclohexylmethyl]-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-[(R)-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-cyclohexylmethyl]-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-[(R)-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-cyclohexylmethyl]-1,3-thiazole-2-carboxamide is Cc1ccc(Nc2ncc([C@H](NC(=O)c3nccs3)C3CCCCC3)cc2Cl)cn1.
What is the InChIKey of N-[(R)-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-cyclohexylmethyl]-1,3-thiazole-2-carboxamide?
The InChIKey is KLJGHEAFIHJOQP-LJQANCHMSA-N. The full InChI is InChI=1S/C22H24ClN5OS/c1-14-7-8-17(13-25-14)27-20-18(23)11-16(12-26-20)19(15-5-3-2-4-6-15)28-21(29)22-24-9-10-30-22/h7-13,15,19H,2-6H2,1H3,(H,26,27)(H,28,29)/t19-/m1/s1.
What are the key properties of N-[(R)-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-cyclohexylmethyl]-1,3-thiazole-2-carboxamide?
N-[(R)-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-cyclohexylmethyl]-1,3-thiazole-2-carboxamide has a molecular weight of 441.99 g/mol, XLogP of 5.69, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-cyclohexylmethyl]-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 118204308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).