2-(1-aminoethyl)-N-ethyl-N-(2-ethylbutyl)-1,3-thiazole-4-carboxamide

C14H25N3OS — CID 66388664

IUPAC2-(1-aminoethyl)-N-ethyl-N-(2-ethylbutyl)-1,3-thiazole-4-carboxamide
SMILESCCC(CC)CN(CC)C(=O)c1csc(C(C)N)n1
InChIInChI=1S/C14H25N3OS/c1-5-11(6-2)8-17(7-3)14(18)12-9-19-13(16-12)10(4)15/h9-11H,5-8,15H2,1-4H3
InChIKeyOEZAWJLKXQKLMG-UHFFFAOYSA-N
MW283.44 g/mol
LogP3.06
Rot. Bonds7

About 2-(1-aminoethyl)-N-ethyl-N-(2-ethylbutyl)-1,3-thiazole-4-carboxamide

2-(1-aminoethyl)-N-ethyl-N-(2-ethylbutyl)-1,3-thiazole-4-carboxamide (PubChem CID 66388664) has the molecular formula C14H25N3OS and a molecular weight of 283.44 g/mol. Its IUPAC name is 2-(1-aminoethyl)-N-ethyl-N-(2-ethylbutyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-aminoethyl)-N-ethyl-N-(2-ethylbutyl)-1,3-thiazole-4-carboxamide
PubChem CID66388664
Molecular FormulaC14H25N3OS
Molecular Weight283.44 g/mol
Exact Mass283.17
IUPAC Name2-(1-aminoethyl)-N-ethyl-N-(2-ethylbutyl)-1,3-thiazole-4-carboxamide
SMILESCCC(CC)CN(CC)C(=O)c1csc(C(C)N)n1
InChIInChI=1S/C14H25N3OS/c1-5-11(6-2)8-17(7-3)14(18)12-9-19-13(16-12)10(4)15/h9-11H,5-8,15H2,1-4H3
InChIKeyOEZAWJLKXQKLMG-UHFFFAOYSA-N
XLogP3.06
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119727919
2-(1-aminoethyl)-N-ethyl-N-(3-hydroxypropyl)-1,3-thiazole-4-carboxamide
CID 113468670
2-(aminomethyl)-N-ethyl-N-(2-methylbutyl)-1,3-thiazole-4-carboxamide
CID 79470567
2-(1-aminoethyl)-N,N-bis(cyanomethyl)-1,3-thiazole-4-carboxamide
CID 66374374
2-(1-aminoethyl)-N-ethyl-N-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 66389737
6-[[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]amino]-4-ethylhexanoic acid
CID 66390146
2-amino-N-ethyl-N-(2-methylpropyl)-1,3-thiazole-4-carboxamide
CID 62788372
2-(1-aminoethyl)-N-benzyl-N-propyl-1,3-thiazole-4-carboxamide
CID 66388279
2-(1-aminoethyl)-N-(2-methoxyethyl)-N-pentan-3-yl-1,3-thiazole-4-carboxamide
CID 66390440
2-(1-aminoethyl)-N-butan-2-yl-1,3-thiazole-4-carboxamide
CID 66374745
N-ethyl-N-(2-ethylbutyl)-6-hydrazinylpyridine-2-carboxamide
CID 55051171
ethyl 2-[[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]-(2-methoxyethyl)amino]acetate
CID 66388898

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethyl)-N-ethyl-N-(2-ethylbutyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(1-aminoethyl)-N-ethyl-N-(2-ethylbutyl)-1,3-thiazole-4-carboxamide (CID 66388664) is 2-(1-aminoethyl)-N-ethyl-N-(2-ethylbutyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(1-aminoethyl)-N-ethyl-N-(2-ethylbutyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(1-aminoethyl)-N-ethyl-N-(2-ethylbutyl)-1,3-thiazole-4-carboxamide is CCC(CC)CN(CC)C(=O)c1csc(C(C)N)n1.
What is the InChIKey of 2-(1-aminoethyl)-N-ethyl-N-(2-ethylbutyl)-1,3-thiazole-4-carboxamide?
The InChIKey is OEZAWJLKXQKLMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3OS/c1-5-11(6-2)8-17(7-3)14(18)12-9-19-13(16-12)10(4)15/h9-11H,5-8,15H2,1-4H3.
What are the key properties of 2-(1-aminoethyl)-N-ethyl-N-(2-ethylbutyl)-1,3-thiazole-4-carboxamide?
2-(1-aminoethyl)-N-ethyl-N-(2-ethylbutyl)-1,3-thiazole-4-carboxamide has a molecular weight of 283.44 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethyl)-N-ethyl-N-(2-ethylbutyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 66388664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).