2-(4-ethoxyanilino)-N-propyl-1,3-thiazole-4-carboxamide

C15H19N3O2S — CID 16954831

IUPAC2-(4-ethoxyanilino)-N-propyl-1,3-thiazole-4-carboxamide
SMILESCCCNC(=O)c1csc(Nc2ccc(OCC)cc2)n1
InChIInChI=1S/C15H19N3O2S/c1-3-9-16-14(19)13-10-21-15(18-13)17-11-5-7-12(8-6-11)20-4-2/h5-8,10H,3-4,9H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyDDYZVIMOINIKOJ-UHFFFAOYSA-N
MW305.40 g/mol
LogP3.43
Rot. Bonds7

About 2-(4-ethoxyanilino)-N-propyl-1,3-thiazole-4-carboxamide

2-(4-ethoxyanilino)-N-propyl-1,3-thiazole-4-carboxamide (PubChem CID 16954831) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 2-(4-ethoxyanilino)-N-propyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-ethoxyanilino)-N-propyl-1,3-thiazole-4-carboxamide
PubChem CID16954831
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name2-(4-ethoxyanilino)-N-propyl-1,3-thiazole-4-carboxamide
SMILESCCCNC(=O)c1csc(Nc2ccc(OCC)cc2)n1
InChIInChI=1S/C15H19N3O2S/c1-3-9-16-14(19)13-10-21-15(18-13)17-11-5-7-12(8-6-11)20-4-2/h5-8,10H,3-4,9H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyDDYZVIMOINIKOJ-UHFFFAOYSA-N
XLogP3.43
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-ethoxyanilino)-N-(4-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 16954889
N-(3,5-dimethylphenyl)-2-(4-ethoxyanilino)-1,3-thiazole-4-carboxamide
CID 16954928
N-(4-ethoxyphenyl)-2-[4-(trifluoromethoxy)anilino]-1,3-thiazole-4-carboxamide
CID 16955260
2-(4-ethoxyanilino)-N-(1-phenylethyl)-1,3-thiazole-4-carboxamide
CID 16954861
N-butyl-2-(4-methylanilino)-1,3-thiazole-4-carboxamide
CID 3974707
6-(4-ethoxyanilino)-N-propylpyridazine-3-carboxamide
CID 109109333
N-(4-bromo-3-methylphenyl)-2-(4-ethoxyanilino)-1,3-thiazole-4-carboxamide
CID 16954943
2-(4-butoxyanilino)-1,3-thiazole-4-carboxylic acid
CID 82030619
N-(2-hydroxyethyl)-2-(4-methylanilino)-1,3-thiazole-4-carboxamide
CID 3978830
2-(4-methoxyanilino)-N-[3-(2-methoxyethylamino)-3-oxopropyl]-1,3-thiazole-4-carboxamide
CID 42813234
N-(5-chloro-2-methoxyphenyl)-2-(4-ethoxyanilino)-1,3-thiazole-4-carboxamide
CID 16954939
2-(4-ethoxyanilino)-N-(2-methoxy-4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 16954960

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyanilino)-N-propyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(4-ethoxyanilino)-N-propyl-1,3-thiazole-4-carboxamide (CID 16954831) is 2-(4-ethoxyanilino)-N-propyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(4-ethoxyanilino)-N-propyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(4-ethoxyanilino)-N-propyl-1,3-thiazole-4-carboxamide is CCCNC(=O)c1csc(Nc2ccc(OCC)cc2)n1.
What is the InChIKey of 2-(4-ethoxyanilino)-N-propyl-1,3-thiazole-4-carboxamide?
The InChIKey is DDYZVIMOINIKOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-3-9-16-14(19)13-10-21-15(18-13)17-11-5-7-12(8-6-11)20-4-2/h5-8,10H,3-4,9H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of 2-(4-ethoxyanilino)-N-propyl-1,3-thiazole-4-carboxamide?
2-(4-ethoxyanilino)-N-propyl-1,3-thiazole-4-carboxamide has a molecular weight of 305.40 g/mol, XLogP of 3.43, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyanilino)-N-propyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 16954831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).