2-chloro-N-[4-(3-hydroxyphenyl)-1,3-thiazol-2-yl]acetamide

C11H9ClN2O2S — CID 164888892

IUPAC2-chloro-N-[4-(3-hydroxyphenyl)-1,3-thiazol-2-yl]acetamide
SMILESO=C(CCl)Nc1nc(-c2cccc(O)c2)cs1
InChIInChI=1S/C11H9ClN2O2S/c12-5-10(16)14-11-13-9(6-17-11)7-2-1-3-8(15)4-7/h1-4,6,15H,5H2,(H,13,14,16)
InChIKeyUNDRDIFDXLTTHR-UHFFFAOYSA-N
MW268.73 g/mol
LogP2.69
Rot. Bonds3

About 2-chloro-N-[4-(3-hydroxyphenyl)-1,3-thiazol-2-yl]acetamide

2-chloro-N-[4-(3-hydroxyphenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 164888892) has the molecular formula C11H9ClN2O2S and a molecular weight of 268.73 g/mol. Its IUPAC name is 2-chloro-N-[4-(3-hydroxyphenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[4-(3-hydroxyphenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID164888892
Molecular FormulaC11H9ClN2O2S
Molecular Weight268.73 g/mol
Exact Mass268.01
IUPAC Name2-chloro-N-[4-(3-hydroxyphenyl)-1,3-thiazol-2-yl]acetamide
SMILESO=C(CCl)Nc1nc(-c2cccc(O)c2)cs1
InChIInChI=1S/C11H9ClN2O2S/c12-5-10(16)14-11-13-9(6-17-11)7-2-1-3-8(15)4-7/h1-4,6,15H,5H2,(H,13,14,16)
InChIKeyUNDRDIFDXLTTHR-UHFFFAOYSA-N
XLogP2.69
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.73
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)acetamide
CID 3513866
2-chloro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 1133114
ethyl 2-[[4-(3-hydroxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoacetate
CID 13177556
2-chloro-N-[1-[4-(3-hydroxyphenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)pyrazol-5-yl]acetamide
CID 1489969
3-chloro-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]propanamide
CID 19183949
2-chloro-N-[3-[2-(5-chloro-2-methylanilino)-1,3-thiazol-4-yl]phenyl]acetamide
CID 5027218
N-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-3-methylbutanamide
CID 28861460
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-(methylamino)acetamide
CID 166686948
(2S,4S)-N-[4-(3-hydroxyphenyl)-1,3-thiazol-2-yl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120637089
2-chloro-N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 4202014
N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-2-chloroacetamide
CID 19194823
4-oxo-4-[(4-phenyl-1,3-thiazol-2-yl)amino]butanoic acid
CID 804919

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-(3-hydroxyphenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-chloro-N-[4-(3-hydroxyphenyl)-1,3-thiazol-2-yl]acetamide (CID 164888892) is 2-chloro-N-[4-(3-hydroxyphenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-chloro-N-[4-(3-hydroxyphenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-chloro-N-[4-(3-hydroxyphenyl)-1,3-thiazol-2-yl]acetamide is O=C(CCl)Nc1nc(-c2cccc(O)c2)cs1.
What is the InChIKey of 2-chloro-N-[4-(3-hydroxyphenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is UNDRDIFDXLTTHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O2S/c12-5-10(16)14-11-13-9(6-17-11)7-2-1-3-8(15)4-7/h1-4,6,15H,5H2,(H,13,14,16).
What are the key properties of 2-chloro-N-[4-(3-hydroxyphenyl)-1,3-thiazol-2-yl]acetamide?
2-chloro-N-[4-(3-hydroxyphenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 268.73 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-(3-hydroxyphenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 164888892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).