N-(5-chloro-2-hydroxyphenyl)-2-ethyl-1,3-thiazole-5-carboxamide

C12H11ClN2O2S — CID 47429710

IUPACN-(5-chloro-2-hydroxyphenyl)-2-ethyl-1,3-thiazole-5-carboxamide
SMILESCCc1ncc(C(=O)Nc2cc(Cl)ccc2O)s1
InChIInChI=1S/C12H11ClN2O2S/c1-2-11-14-6-10(18-11)12(17)15-8-5-7(13)3-4-9(8)16/h3-6,16H,2H2,1H3,(H,15,17)
InChIKeyDNMUODBAZVSWPL-UHFFFAOYSA-N
MW282.75 g/mol
LogP3.32
Rot. Bonds3

About N-(5-chloro-2-hydroxyphenyl)-2-ethyl-1,3-thiazole-5-carboxamide

N-(5-chloro-2-hydroxyphenyl)-2-ethyl-1,3-thiazole-5-carboxamide (PubChem CID 47429710) has the molecular formula C12H11ClN2O2S and a molecular weight of 282.75 g/mol. Its IUPAC name is N-(5-chloro-2-hydroxyphenyl)-2-ethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-hydroxyphenyl)-2-ethyl-1,3-thiazole-5-carboxamide
PubChem CID47429710
Molecular FormulaC12H11ClN2O2S
Molecular Weight282.75 g/mol
Exact Mass282.02
IUPAC NameN-(5-chloro-2-hydroxyphenyl)-2-ethyl-1,3-thiazole-5-carboxamide
SMILESCCc1ncc(C(=O)Nc2cc(Cl)ccc2O)s1
InChIInChI=1S/C12H11ClN2O2S/c1-2-11-14-6-10(18-11)12(17)15-8-5-7(13)3-4-9(8)16/h3-6,16H,2H2,1H3,(H,15,17)
InChIKeyDNMUODBAZVSWPL-UHFFFAOYSA-N
XLogP3.32
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.75
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-hydroxyphenyl)-2-ethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(5-chloro-2-hydroxyphenyl)-2-ethyl-1,3-thiazole-5-carboxamide (CID 47429710) is N-(5-chloro-2-hydroxyphenyl)-2-ethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(5-chloro-2-hydroxyphenyl)-2-ethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(5-chloro-2-hydroxyphenyl)-2-ethyl-1,3-thiazole-5-carboxamide is CCc1ncc(C(=O)Nc2cc(Cl)ccc2O)s1.
What is the InChIKey of N-(5-chloro-2-hydroxyphenyl)-2-ethyl-1,3-thiazole-5-carboxamide?
The InChIKey is DNMUODBAZVSWPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O2S/c1-2-11-14-6-10(18-11)12(17)15-8-5-7(13)3-4-9(8)16/h3-6,16H,2H2,1H3,(H,15,17).
What are the key properties of N-(5-chloro-2-hydroxyphenyl)-2-ethyl-1,3-thiazole-5-carboxamide?
N-(5-chloro-2-hydroxyphenyl)-2-ethyl-1,3-thiazole-5-carboxamide has a molecular weight of 282.75 g/mol, XLogP of 3.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-hydroxyphenyl)-2-ethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 47429710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).