2-(2-chlorophenyl)-N-(2-methoxyethyl)-1,3-thiazole-5-carboxamide

C13H13ClN2O2S — CID 49371122

IUPAC2-(2-chlorophenyl)-N-(2-methoxyethyl)-1,3-thiazole-5-carboxamide
SMILESCOCCNC(=O)c1cnc(-c2ccccc2Cl)s1
InChIInChI=1S/C13H13ClN2O2S/c1-18-7-6-15-12(17)11-8-16-13(19-11)9-4-2-3-5-10(9)14/h2-5,8H,6-7H2,1H3,(H,15,17)
InChIKeyKGRVNSFTVOOEBG-UHFFFAOYSA-N
MW296.78 g/mol
LogP2.84
Rot. Bonds5

About 2-(2-chlorophenyl)-N-(2-methoxyethyl)-1,3-thiazole-5-carboxamide

2-(2-chlorophenyl)-N-(2-methoxyethyl)-1,3-thiazole-5-carboxamide (PubChem CID 49371122) has the molecular formula C13H13ClN2O2S and a molecular weight of 296.78 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-(2-methoxyethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-(2-methoxyethyl)-1,3-thiazole-5-carboxamide
PubChem CID49371122
Molecular FormulaC13H13ClN2O2S
Molecular Weight296.78 g/mol
Exact Mass296.04
IUPAC Name2-(2-chlorophenyl)-N-(2-methoxyethyl)-1,3-thiazole-5-carboxamide
SMILESCOCCNC(=O)c1cnc(-c2ccccc2Cl)s1
InChIInChI=1S/C13H13ClN2O2S/c1-18-7-6-15-12(17)11-8-16-13(19-11)9-4-2-3-5-10(9)14/h2-5,8H,6-7H2,1H3,(H,15,17)
InChIKeyKGRVNSFTVOOEBG-UHFFFAOYSA-N
XLogP2.84
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.78
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-chlorophenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-1,3-thiazole-5-carboxamide
CID 49372790
1-[2-(2-chlorophenyl)-1,3-thiazol-5-yl]ethanone
CID 1477653
N'-(2-chlorobenzoyl)-2-(2-chlorophenyl)-1,3-thiazole-5-carbohydrazide
CID 49371200
2-(2-chlorophenyl)-N'-methyl-N'-phenyl-1,3-thiazole-5-carbohydrazide
CID 51129260
2-amino-N-(2-methoxyethyl)-1,3-thiazole-5-carboxamide
CID 82171902
N-(3-carbamoyl-4-methylphenyl)-2-(2-chlorophenyl)-1,3-thiazole-5-carboxamide
CID 95172667
2-(2-chlorophenyl)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-1,3-thiazole-5-carboxamide
CID 49322069
N-[3-[2-methoxyethyl(methyl)amino]propyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 86991474
[2-(2-chlorophenyl)-1,3-thiazol-5-yl]-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 100656442
2-(1-benzothiophen-3-yl)-N-propyl-1,3-thiazole-5-carboxamide
CID 117089933
N-[2-(ethylamino)ethyl]-2-phenyl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119509156
2-(2,6-dichlorophenyl)-N-(2-methoxyethyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 52899426

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-(2-methoxyethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(2-chlorophenyl)-N-(2-methoxyethyl)-1,3-thiazole-5-carboxamide (CID 49371122) is 2-(2-chlorophenyl)-N-(2-methoxyethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-(2-methoxyethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-(2-methoxyethyl)-1,3-thiazole-5-carboxamide is COCCNC(=O)c1cnc(-c2ccccc2Cl)s1.
What is the InChIKey of 2-(2-chlorophenyl)-N-(2-methoxyethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is KGRVNSFTVOOEBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2S/c1-18-7-6-15-12(17)11-8-16-13(19-11)9-4-2-3-5-10(9)14/h2-5,8H,6-7H2,1H3,(H,15,17).
What are the key properties of 2-(2-chlorophenyl)-N-(2-methoxyethyl)-1,3-thiazole-5-carboxamide?
2-(2-chlorophenyl)-N-(2-methoxyethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 296.78 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-(2-methoxyethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 49371122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).