N-[4-[4-(3-chlorophenyl)-2-[(1S)-1-hydroxyethyl]-1,3-thiazol-5-yl]-2-pyridinyl]acetamide

C18H16ClN3O2S — CID 99647046

IUPACN-[4-[4-(3-chlorophenyl)-2-[(1S)-1-hydroxyethyl]-1,3-thiazol-5-yl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2sc([C@H](C)O)nc2-c2cccc(Cl)c2)ccn1
InChIInChI=1S/C18H16ClN3O2S/c1-10(23)18-22-16(12-4-3-5-14(19)8-12)17(25-18)13-6-7-20-15(9-13)21-11(2)24/h3-10,23H,1-2H3,(H,20,21,24)/t10-/m0/s1
InChIKeyJBHQQIGNOKLKIY-JTQLQIEISA-N
MW373.87 g/mol
LogP4.54
Rot. Bonds4

About N-[4-[4-(3-chlorophenyl)-2-[(1S)-1-hydroxyethyl]-1,3-thiazol-5-yl]-2-pyridinyl]acetamide

N-[4-[4-(3-chlorophenyl)-2-[(1S)-1-hydroxyethyl]-1,3-thiazol-5-yl]-2-pyridinyl]acetamide (PubChem CID 99647046) has the molecular formula C18H16ClN3O2S and a molecular weight of 373.87 g/mol. Its IUPAC name is N-[4-[4-(3-chlorophenyl)-2-[(1S)-1-hydroxyethyl]-1,3-thiazol-5-yl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-(3-chlorophenyl)-2-[(1S)-1-hydroxyethyl]-1,3-thiazol-5-yl]-2-pyridinyl]acetamide
PubChem CID99647046
Molecular FormulaC18H16ClN3O2S
Molecular Weight373.87 g/mol
Exact Mass373.07
IUPAC NameN-[4-[4-(3-chlorophenyl)-2-[(1S)-1-hydroxyethyl]-1,3-thiazol-5-yl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2sc([C@H](C)O)nc2-c2cccc(Cl)c2)ccn1
InChIInChI=1S/C18H16ClN3O2S/c1-10(23)18-22-16(12-4-3-5-14(19)8-12)17(25-18)13-6-7-20-15(9-13)21-11(2)24/h3-10,23H,1-2H3,(H,20,21,24)/t10-/m0/s1
InChIKeyJBHQQIGNOKLKIY-JTQLQIEISA-N
XLogP4.54
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.87
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-[4-(3-chlorophenyl)-2-[(1S)-1-hydroxyethyl]-1,3-thiazol-5-yl]-2-pyridinyl]acetamide 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

2-[5-(2-acetamido-4-pyridinyl)-4-(3-chlorophenyl)-1,3-thiazol-2-yl]acetic acid
CID 68830076
N-[4-[4-(3-chlorophenyl)-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-2-pyridinyl]benzamide
CID 18446680
N-[4-[[5-(3-chlorophenyl)-6-oxo-2-propan-2-yl-1H-pyridin-3-yl]amino]-2-pyridinyl]acetamide
CID 146296386
2-chloro-4,5-bis(3-chlorophenyl)-1,3-thiazole
CID 21408778
N-[4-[4-(3-aminophenyl)-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-2-pyridinyl]acetamide
CID 58095220
N-[4-[4-(3-methylphenyl)-2-propyl-1,3-thiazol-5-yl]-2-pyridinyl]-2-phenylacetamide
CID 10113346
N-[4-[4-(3-methylphenyl)-2-(2-methylsulfanylethyl)-1,3-thiazol-5-yl]-2-pyridinyl]propanamide
CID 57349391
N-[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylpropanamide
CID 19194860
N-[4-[2-(3-chlorophenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-3,3-dimethylbutanamide
CID 59759708
N-[2-(3-chlorophenyl)pyrimidin-4-yl]acetamide;1-morpholin-4-ylprop-2-en-1-one
CID 171499263
N-[4-amino-6-(3-chlorophenyl)-5-cyano-2-pyridinyl]acetamide
CID 66920766
N-[4-[2-(3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]acetamide
CID 59759712

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(3-chlorophenyl)-2-[(1S)-1-hydroxyethyl]-1,3-thiazol-5-yl]-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[4-(3-chlorophenyl)-2-[(1S)-1-hydroxyethyl]-1,3-thiazol-5-yl]-2-pyridinyl]acetamide (CID 99647046) is N-[4-[4-(3-chlorophenyl)-2-[(1S)-1-hydroxyethyl]-1,3-thiazol-5-yl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[4-(3-chlorophenyl)-2-[(1S)-1-hydroxyethyl]-1,3-thiazol-5-yl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[4-(3-chlorophenyl)-2-[(1S)-1-hydroxyethyl]-1,3-thiazol-5-yl]-2-pyridinyl]acetamide is CC(=O)Nc1cc(-c2sc([C@H](C)O)nc2-c2cccc(Cl)c2)ccn1.
What is the InChIKey of N-[4-[4-(3-chlorophenyl)-2-[(1S)-1-hydroxyethyl]-1,3-thiazol-5-yl]-2-pyridinyl]acetamide?
The InChIKey is JBHQQIGNOKLKIY-JTQLQIEISA-N. The full InChI is InChI=1S/C18H16ClN3O2S/c1-10(23)18-22-16(12-4-3-5-14(19)8-12)17(25-18)13-6-7-20-15(9-13)21-11(2)24/h3-10,23H,1-2H3,(H,20,21,24)/t10-/m0/s1.
What are the key properties of N-[4-[4-(3-chlorophenyl)-2-[(1S)-1-hydroxyethyl]-1,3-thiazol-5-yl]-2-pyridinyl]acetamide?
N-[4-[4-(3-chlorophenyl)-2-[(1S)-1-hydroxyethyl]-1,3-thiazol-5-yl]-2-pyridinyl]acetamide has a molecular weight of 373.87 g/mol, XLogP of 4.54, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(3-chlorophenyl)-2-[(1S)-1-hydroxyethyl]-1,3-thiazol-5-yl]-2-pyridinyl]acetamide is sourced from PubChem (CID 99647046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).