2-[(3-chlorobenzoyl)amino]-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide

C14H14ClN3O3S — CID 46113565

IUPAC2-[(3-chlorobenzoyl)amino]-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide
SMILESCOCCNC(=O)c1csc(NC(=O)c2cccc(Cl)c2)n1
InChIInChI=1S/C14H14ClN3O3S/c1-21-6-5-16-13(20)11-8-22-14(17-11)18-12(19)9-3-2-4-10(15)7-9/h2-4,7-8H,5-6H2,1H3,(H,16,20)(H,17,18,19)
InChIKeyXJAOKGBXWRTZJO-UHFFFAOYSA-N
MW339.80 g/mol
LogP2.42
Rot. Bonds6

About 2-[(3-chlorobenzoyl)amino]-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide

2-[(3-chlorobenzoyl)amino]-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide (PubChem CID 46113565) has the molecular formula C14H14ClN3O3S and a molecular weight of 339.80 g/mol. Its IUPAC name is 2-[(3-chlorobenzoyl)amino]-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[(3-chlorobenzoyl)amino]-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide
PubChem CID46113565
Molecular FormulaC14H14ClN3O3S
Molecular Weight339.80 g/mol
Exact Mass339.04
IUPAC Name2-[(3-chlorobenzoyl)amino]-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide
SMILESCOCCNC(=O)c1csc(NC(=O)c2cccc(Cl)c2)n1
InChIInChI=1S/C14H14ClN3O3S/c1-21-6-5-16-13(20)11-8-22-14(17-11)18-12(19)9-3-2-4-10(15)7-9/h2-4,7-8H,5-6H2,1H3,(H,16,20)(H,17,18,19)
InChIKeyXJAOKGBXWRTZJO-UHFFFAOYSA-N
XLogP2.42
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.80
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

but-2-enedioic acid;2-[(3-chlorobenzoyl)amino]-N-[2-(dimethylamino)ethyl]-1,3-thiazole-4-carboxamide
CID 173232363
3-chloro-N-[4-[2-[(3-chlorobenzoyl)amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]benzamide
CID 4684808
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide
CID 71840357
N-[2-(2-hydroxyethoxy)ethyl]-2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 84555706
methyl N-[3-[[4-[2-[di(propan-2-yl)amino]ethylcarbamoyl]-1,3-thiazol-2-yl]carbamoyl]phenyl]carbamate
CID 23296372
2-[(4-chlorobenzoyl)amino]-N,N-bis(2-methoxyethyl)-1,3-thiazole-4-carboxamide
CID 16915037
N-(4-aminobutyl)-2-[(3,4-dimethoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 19611226
2-benzamido-N,N-bis(2-methoxyethyl)-1,3-thiazole-4-carboxamide
CID 16914887
2-benzamido-N-ethyl-1,3-thiazole-4-carboxamide
CID 16914905
4-[(2-benzamido-1,3-thiazole-4-carbonyl)amino]butanoic acid
CID 39182218
N-hexyl-2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 84555627
N-[4-[3-(2-methoxyethylamino)-3-oxopropyl]-1,3-thiazol-2-yl]benzamide
CID 42208483

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorobenzoyl)amino]-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[(3-chlorobenzoyl)amino]-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide (CID 46113565) is 2-[(3-chlorobenzoyl)amino]-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[(3-chlorobenzoyl)amino]-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[(3-chlorobenzoyl)amino]-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide is COCCNC(=O)c1csc(NC(=O)c2cccc(Cl)c2)n1.
What is the InChIKey of 2-[(3-chlorobenzoyl)amino]-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is XJAOKGBXWRTZJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O3S/c1-21-6-5-16-13(20)11-8-22-14(17-11)18-12(19)9-3-2-4-10(15)7-9/h2-4,7-8H,5-6H2,1H3,(H,16,20)(H,17,18,19).
What are the key properties of 2-[(3-chlorobenzoyl)amino]-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide?
2-[(3-chlorobenzoyl)amino]-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 339.80 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorobenzoyl)amino]-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 46113565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).