2-(3,4-dichlorophenyl)-N-[(2R)-1-hydroxy-3-pyridin-2-ylpropan-2-yl]-1,3-thiazole-4-carboxamide

C18H15Cl2N3O2S — CID 100698699

IUPAC2-(3,4-dichlorophenyl)-N-[(2R)-1-hydroxy-3-pyridin-2-ylpropan-2-yl]-1,3-thiazole-4-carboxamide
SMILESO=C(N[C@@H](CO)Cc1ccccn1)c1csc(-c2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C18H15Cl2N3O2S/c19-14-5-4-11(7-15(14)20)18-23-16(10-26-18)17(25)22-13(9-24)8-12-3-1-2-6-21-12/h1-7,10,13,24H,8-9H2,(H,22,25)/t13-/m1/s1
InChIKeyDATRFNYWYBFTTN-CYBMUJFWSA-N
MW408.31 g/mol
LogP3.85
Rot. Bonds6

About 2-(3,4-dichlorophenyl)-N-[(2R)-1-hydroxy-3-pyridin-2-ylpropan-2-yl]-1,3-thiazole-4-carboxamide

2-(3,4-dichlorophenyl)-N-[(2R)-1-hydroxy-3-pyridin-2-ylpropan-2-yl]-1,3-thiazole-4-carboxamide (PubChem CID 100698699) has the molecular formula C18H15Cl2N3O2S and a molecular weight of 408.31 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-N-[(2R)-1-hydroxy-3-pyridin-2-ylpropan-2-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-N-[(2R)-1-hydroxy-3-pyridin-2-ylpropan-2-yl]-1,3-thiazole-4-carboxamide
PubChem CID100698699
Molecular FormulaC18H15Cl2N3O2S
Molecular Weight408.31 g/mol
Exact Mass407.03
IUPAC Name2-(3,4-dichlorophenyl)-N-[(2R)-1-hydroxy-3-pyridin-2-ylpropan-2-yl]-1,3-thiazole-4-carboxamide
SMILESO=C(N[C@@H](CO)Cc1ccccn1)c1csc(-c2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C18H15Cl2N3O2S/c19-14-5-4-11(7-15(14)20)18-23-16(10-26-18)17(25)22-13(9-24)8-12-3-1-2-6-21-12/h1-7,10,13,24H,8-9H2,(H,22,25)/t13-/m1/s1
InChIKeyDATRFNYWYBFTTN-CYBMUJFWSA-N
XLogP3.85
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.31
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(3,4-dichlorophenyl)-N-[(2R)-1-hydroxy-3-pyridin-2-ylpropan-2-yl]-1,3-thiazole-4-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

4-(dimethylamino)-N-[(2S)-1-hydroxy-3-pyridin-2-ylpropan-2-yl]pyridine-2-carboxamide
CID 99797738
2-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 24512523
N-(1-hydroxy-3-phenylpropan-2-yl)pyridine-2-carboxamide
CID 55169382
2-bromo-N-(1-hydroxy-3-pyridin-2-ylpropan-2-yl)benzamide
CID 91652329
2-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-N-(2-pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide
CID 42865936
2-[2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 46067362
N-[(2-chlorophenyl)methyl]-2-(2-pyrrolidin-1-yl-4-pyridinyl)-1,3-thiazole-4-carboxamide
CID 53036726
N-(1-hydroxybutan-2-yl)pyridine-2-carboxamide
CID 43392707
2-(4-ethoxyphenyl)-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
CID 55783786
2-(2-chloro-4-phenylmethoxyphenyl)-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 46066764
2-[4-amino-5-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-[(2R)-1-hydroxy-3-pyridin-2-ylpropan-2-yl]benzamide
CID 142384422
2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-3-(hydroxymethyl)-N-[(2R)-1-hydroxy-3-pyridin-2-ylpropan-2-yl]benzamide
CID 135138289

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-N-[(2R)-1-hydroxy-3-pyridin-2-ylpropan-2-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(3,4-dichlorophenyl)-N-[(2R)-1-hydroxy-3-pyridin-2-ylpropan-2-yl]-1,3-thiazole-4-carboxamide (CID 100698699) is 2-(3,4-dichlorophenyl)-N-[(2R)-1-hydroxy-3-pyridin-2-ylpropan-2-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-N-[(2R)-1-hydroxy-3-pyridin-2-ylpropan-2-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(3,4-dichlorophenyl)-N-[(2R)-1-hydroxy-3-pyridin-2-ylpropan-2-yl]-1,3-thiazole-4-carboxamide is O=C(N[C@@H](CO)Cc1ccccn1)c1csc(-c2ccc(Cl)c(Cl)c2)n1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-N-[(2R)-1-hydroxy-3-pyridin-2-ylpropan-2-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is DATRFNYWYBFTTN-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H15Cl2N3O2S/c19-14-5-4-11(7-15(14)20)18-23-16(10-26-18)17(25)22-13(9-24)8-12-3-1-2-6-21-12/h1-7,10,13,24H,8-9H2,(H,22,25)/t13-/m1/s1.
What are the key properties of 2-(3,4-dichlorophenyl)-N-[(2R)-1-hydroxy-3-pyridin-2-ylpropan-2-yl]-1,3-thiazole-4-carboxamide?
2-(3,4-dichlorophenyl)-N-[(2R)-1-hydroxy-3-pyridin-2-ylpropan-2-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 408.31 g/mol, XLogP of 3.85, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-N-[(2R)-1-hydroxy-3-pyridin-2-ylpropan-2-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 100698699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).