4-amino-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]butanamide

C15H19N3OS — CID 119266976

IUPAC4-amino-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]butanamide
SMILESNCCCC(=O)NCCc1csc(-c2ccccc2)n1
InChIInChI=1S/C15H19N3OS/c16-9-4-7-14(19)17-10-8-13-11-20-15(18-13)12-5-2-1-3-6-12/h1-3,5-6,11H,4,7-10,16H2,(H,17,19)
InChIKeyDJMLINLNEICVFZ-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.21
Rot. Bonds7

About 4-amino-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]butanamide

4-amino-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]butanamide (PubChem CID 119266976) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 4-amino-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]butanamide.

Molecular Properties

Compound Name4-amino-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]butanamide
PubChem CID119266976
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name4-amino-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]butanamide
SMILESNCCCC(=O)NCCc1csc(-c2ccccc2)n1
InChIInChI=1S/C15H19N3OS/c16-9-4-7-14(19)17-10-8-13-11-20-15(18-13)12-5-2-1-3-6-12/h1-3,5-6,11H,4,7-10,16H2,(H,17,19)
InChIKeyDJMLINLNEICVFZ-UHFFFAOYSA-N
XLogP2.21
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

7-amino-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]heptanamide
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2-(4-chlorophenyl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 35343942
3-(furan-2-yl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]propanamide
CID 71973739
N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-3-phenylpropanamide
CID 7522122
N-(2-methoxyethyl)-3-(2-phenyl-1,3-thiazol-4-yl)propanamide
CID 110332864
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 38162050
N-(3-phenylpropyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide
CID 110330030
3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]propanamide
CID 71922792
4-(methylamino)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]butanamide;hydrochloride
CID 119726944
2-hydroxy-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 162665630
1-amino-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]cyclopentane-1-carboxamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]butanamide?
The IUPAC name of 4-amino-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]butanamide (CID 119266976) is 4-amino-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]butanamide.
What is the SMILES notation for 4-amino-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]butanamide?
The canonical SMILES for 4-amino-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]butanamide is NCCCC(=O)NCCc1csc(-c2ccccc2)n1.
What is the InChIKey of 4-amino-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]butanamide?
The InChIKey is DJMLINLNEICVFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c16-9-4-7-14(19)17-10-8-13-11-20-15(18-13)12-5-2-1-3-6-12/h1-3,5-6,11H,4,7-10,16H2,(H,17,19).
What are the key properties of 4-amino-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]butanamide?
4-amino-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]butanamide has a molecular weight of 289.40 g/mol, XLogP of 2.21, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]butanamide is sourced from PubChem (CID 119266976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).