N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-1,3-thiazole-4-carboxamide

C12H10Cl2N2O2S — CID 111452353

IUPACN-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NCC(O)c1c(Cl)cccc1Cl)c1cscn1
InChIInChI=1S/C12H10Cl2N2O2S/c13-7-2-1-3-8(14)11(7)10(17)4-15-12(18)9-5-19-6-16-9/h1-3,5-6,10,17H,4H2,(H,15,18)
InChIKeyWUEXEQZQSPULDP-UHFFFAOYSA-N
MW317.20 g/mol
LogP2.91
Rot. Bonds4

About N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-1,3-thiazole-4-carboxamide

N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-1,3-thiazole-4-carboxamide (PubChem CID 111452353) has the molecular formula C12H10Cl2N2O2S and a molecular weight of 317.20 g/mol. Its IUPAC name is N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-1,3-thiazole-4-carboxamide
PubChem CID111452353
Molecular FormulaC12H10Cl2N2O2S
Molecular Weight317.20 g/mol
Exact Mass315.98
IUPAC NameN-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NCC(O)c1c(Cl)cccc1Cl)c1cscn1
InChIInChI=1S/C12H10Cl2N2O2S/c13-7-2-1-3-8(14)11(7)10(17)4-15-12(18)9-5-19-6-16-9/h1-3,5-6,10,17H,4H2,(H,15,18)
InChIKeyWUEXEQZQSPULDP-UHFFFAOYSA-N
XLogP2.91
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.20
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-3-(1,3-thiazol-4-ylmethyl)urea
CID 111450585
N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-4-carboxamide
CID 111108640
N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-1,3-thiazole-4-carboxamide
CID 111422585
N-[3-hydroxy-2-(hydroxymethyl)propyl]-1,3-thiazole-4-carboxamide
CID 143320313
N-[(2-chloro-6-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 103292671
N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 111422693
N-(2-chlorophenyl)-1,3-thiazole-4-carboxamide
CID 62046847
N-(2-chloro-2-cyclopropylethyl)-1,3-thiazole-4-carboxamide
CID 114304998
N-(2-chloro-6-methylphenyl)-1,3-thiazole-4-carboxamide
CID 66255718
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 119525591
N-(4-hydroxy-2-methylbutyl)-1,3-thiazole-4-carboxamide
CID 66106843
N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-ethylbutanamide
CID 111912027

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-1,3-thiazole-4-carboxamide (CID 111452353) is N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-1,3-thiazole-4-carboxamide is O=C(NCC(O)c1c(Cl)cccc1Cl)c1cscn1.
What is the InChIKey of N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-1,3-thiazole-4-carboxamide?
The InChIKey is WUEXEQZQSPULDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2O2S/c13-7-2-1-3-8(14)11(7)10(17)4-15-12(18)9-5-19-6-16-9/h1-3,5-6,10,17H,4H2,(H,15,18).
What are the key properties of N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-1,3-thiazole-4-carboxamide?
N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-1,3-thiazole-4-carboxamide has a molecular weight of 317.20 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 111452353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).