2-(3,5-dichlorophenyl)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-hydroxyacetamide

C14H14Cl2N2O2S — CID 84594698

IUPAC2-(3,5-dichlorophenyl)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-hydroxyacetamide
SMILESCc1nc(CNC(=O)C(O)c2cc(Cl)cc(Cl)c2)sc1C
InChIInChI=1S/C14H14Cl2N2O2S/c1-7-8(2)21-12(18-7)6-17-14(20)13(19)9-3-10(15)5-11(16)4-9/h3-5,13,19H,6H2,1-2H3,(H,17,20)
InChIKeyZARIIDBPXAZTMO-UHFFFAOYSA-N
MW345.25 g/mol
LogP3.42
Rot. Bonds4

About 2-(3,5-dichlorophenyl)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-hydroxyacetamide

2-(3,5-dichlorophenyl)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-hydroxyacetamide (PubChem CID 84594698) has the molecular formula C14H14Cl2N2O2S and a molecular weight of 345.25 g/mol. Its IUPAC name is 2-(3,5-dichlorophenyl)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-hydroxyacetamide.

Molecular Properties

Compound Name2-(3,5-dichlorophenyl)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-hydroxyacetamide
PubChem CID84594698
Molecular FormulaC14H14Cl2N2O2S
Molecular Weight345.25 g/mol
Exact Mass344.02
IUPAC Name2-(3,5-dichlorophenyl)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-hydroxyacetamide
SMILESCc1nc(CNC(=O)C(O)c2cc(Cl)cc(Cl)c2)sc1C
InChIInChI=1S/C14H14Cl2N2O2S/c1-7-8(2)21-12(18-7)6-17-14(20)13(19)9-3-10(15)5-11(16)4-9/h3-5,13,19H,6H2,1-2H3,(H,17,20)
InChIKeyZARIIDBPXAZTMO-UHFFFAOYSA-N
XLogP3.42
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.25
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzothiazol-2-ylmethyl)-2-(3,5-dichlorophenyl)-2-hydroxyacetamide
CID 154832723
3-[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]-2-methyl-3-oxopropanoic acid
CID 122065703
(2S)-2-(3,5-dichlorophenyl)-2-hydroxy-N-[(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]acetamide
CID 99716962
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]benzamide
CID 58883688
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3,4-dimethylbenzamide
CID 110739109
3-bromo-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]propanamide
CID 82110091
phenyl N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]carbamate
CID 110739115
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 110484286
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3,5-dimethoxybenzamide
CID 110444729
3,6-dichloro-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-methoxybenzamide
CID 110443047
1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 111509364
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-(2-methoxyphenyl)acetamide
CID 110446475

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichlorophenyl)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-hydroxyacetamide?
The IUPAC name of 2-(3,5-dichlorophenyl)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-hydroxyacetamide (CID 84594698) is 2-(3,5-dichlorophenyl)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-hydroxyacetamide.
What is the SMILES notation for 2-(3,5-dichlorophenyl)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-hydroxyacetamide?
The canonical SMILES for 2-(3,5-dichlorophenyl)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-hydroxyacetamide is Cc1nc(CNC(=O)C(O)c2cc(Cl)cc(Cl)c2)sc1C.
What is the InChIKey of 2-(3,5-dichlorophenyl)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-hydroxyacetamide?
The InChIKey is ZARIIDBPXAZTMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O2S/c1-7-8(2)21-12(18-7)6-17-14(20)13(19)9-3-10(15)5-11(16)4-9/h3-5,13,19H,6H2,1-2H3,(H,17,20).
What are the key properties of 2-(3,5-dichlorophenyl)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-hydroxyacetamide?
2-(3,5-dichlorophenyl)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-hydroxyacetamide has a molecular weight of 345.25 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichlorophenyl)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-hydroxyacetamide is sourced from PubChem (CID 84594698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).