N-[4-(2-chlorophenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-5-[4-(2-hydroxyacetyl)piperazin-1-yl]pyridine-2-carboxamide

C22H24ClN5O3S — CID 166890876

IUPACN-[4-(2-chlorophenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-5-[4-(2-hydroxyacetyl)piperazin-1-yl]pyridine-2-carboxamide
SMILESCC1SC(NC(=O)c2ccc(N3CCN(C(=O)CO)CC3)cn2)=NC1c1ccccc1Cl
InChIInChI=1S/C22H24ClN5O3S/c1-14-20(16-4-2-3-5-17(16)23)25-22(32-14)26-21(31)18-7-6-15(12-24-18)27-8-10-28(11-9-27)19(30)13-29/h2-7,12,14,20,29H,8-11,13H2,1H3,(H,25,26,31)
InChIKeyLPMRHKUAAPYYCN-UHFFFAOYSA-N
MW473.99 g/mol
LogP2.34
Rot. Bonds4

About N-[4-(2-chlorophenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-5-[4-(2-hydroxyacetyl)piperazin-1-yl]pyridine-2-carboxamide

N-[4-(2-chlorophenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-5-[4-(2-hydroxyacetyl)piperazin-1-yl]pyridine-2-carboxamide (PubChem CID 166890876) has the molecular formula C22H24ClN5O3S and a molecular weight of 473.99 g/mol. Its IUPAC name is N-[4-(2-chlorophenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-5-[4-(2-hydroxyacetyl)piperazin-1-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(2-chlorophenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-5-[4-(2-hydroxyacetyl)piperazin-1-yl]pyridine-2-carboxamide
PubChem CID166890876
Molecular FormulaC22H24ClN5O3S
Molecular Weight473.99 g/mol
Exact Mass473.13
IUPAC NameN-[4-(2-chlorophenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-5-[4-(2-hydroxyacetyl)piperazin-1-yl]pyridine-2-carboxamide
SMILESCC1SC(NC(=O)c2ccc(N3CCN(C(=O)CO)CC3)cn2)=NC1c1ccccc1Cl
InChIInChI=1S/C22H24ClN5O3S/c1-14-20(16-4-2-3-5-17(16)23)25-22(32-14)26-21(31)18-7-6-15(12-24-18)27-8-10-28(11-9-27)19(30)13-29/h2-7,12,14,20,29H,8-11,13H2,1H3,(H,25,26,31)
InChIKeyLPMRHKUAAPYYCN-UHFFFAOYSA-N
XLogP2.34
TPSA98.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.99
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[4-(2-chlorophenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-5-[4-(2-hydroxyacetyl)piperazin-1-yl]pyridine-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

Related Compounds

N-(2-chlorophenyl)-5-(4-methylpiperidin-1-yl)pyridine-2-carboxamide
CID 109183519
2-hydroxy-1-[4-(6-iodo-3-pyridinyl)piperazin-1-yl]ethanone
CID 134406781
5-(4-acetylpiperazin-1-yl)-N-(2,6-dimethylphenyl)pyridine-2-carboxamide
CID 109187407
N-(2,3-dichlorophenyl)-5-pyrrolidin-1-ylpyridine-2-carboxamide
CID 109182144
N-(4-chlorophenyl)-5-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide
CID 109193461
5-(4-phenylpiperazin-1-yl)-N-propylpyridine-2-carboxamide
CID 109179090
N-(2,5-dichlorophenyl)-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 109186586
ethyl 4-[6-[(4-chlorophenyl)carbamoyl]-3-pyridinyl]piperazine-1-carboxylate
CID 109194209
5-[4-(3-methylbutanoyl)piperazin-1-yl]pyridine-2-carboxylic acid
CID 83971688
N-(2,6-diethylphenyl)-5-piperidin-1-ylpyridine-2-carboxamide
CID 109182816
N-[(2-methylphenyl)methyl]-5-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide
CID 109188154
5-(4-benzylpiperazin-1-yl)-N-tert-butylpyridine-2-carboxamide
CID 109193366

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-chlorophenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-5-[4-(2-hydroxyacetyl)piperazin-1-yl]pyridine-2-carboxamide?
The IUPAC name of N-[4-(2-chlorophenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-5-[4-(2-hydroxyacetyl)piperazin-1-yl]pyridine-2-carboxamide (CID 166890876) is N-[4-(2-chlorophenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-5-[4-(2-hydroxyacetyl)piperazin-1-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[4-(2-chlorophenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-5-[4-(2-hydroxyacetyl)piperazin-1-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[4-(2-chlorophenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-5-[4-(2-hydroxyacetyl)piperazin-1-yl]pyridine-2-carboxamide is CC1SC(NC(=O)c2ccc(N3CCN(C(=O)CO)CC3)cn2)=NC1c1ccccc1Cl.
What is the InChIKey of N-[4-(2-chlorophenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-5-[4-(2-hydroxyacetyl)piperazin-1-yl]pyridine-2-carboxamide?
The InChIKey is LPMRHKUAAPYYCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN5O3S/c1-14-20(16-4-2-3-5-17(16)23)25-22(32-14)26-21(31)18-7-6-15(12-24-18)27-8-10-28(11-9-27)19(30)13-29/h2-7,12,14,20,29H,8-11,13H2,1H3,(H,25,26,31).
What are the key properties of N-[4-(2-chlorophenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-5-[4-(2-hydroxyacetyl)piperazin-1-yl]pyridine-2-carboxamide?
N-[4-(2-chlorophenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-5-[4-(2-hydroxyacetyl)piperazin-1-yl]pyridine-2-carboxamide has a molecular weight of 473.99 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-chlorophenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-5-[4-(2-hydroxyacetyl)piperazin-1-yl]pyridine-2-carboxamide is sourced from PubChem (CID 166890876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).