2-(2-amino-1,3-thiazol-4-yl)-N-(3-phenylbutyl)acetamide

C15H19N3OS — CID 62987863

IUPAC2-(2-amino-1,3-thiazol-4-yl)-N-(3-phenylbutyl)acetamide
SMILESCC(CCNC(=O)Cc1csc(N)n1)c1ccccc1
InChIInChI=1S/C15H19N3OS/c1-11(12-5-3-2-4-6-12)7-8-17-14(19)9-13-10-20-15(16)18-13/h2-6,10-11H,7-9H2,1H3,(H2,16,18)(H,17,19)
InChIKeyJKODXYPBFMRDFT-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.58
Rot. Bonds6

About 2-(2-amino-1,3-thiazol-4-yl)-N-(3-phenylbutyl)acetamide

2-(2-amino-1,3-thiazol-4-yl)-N-(3-phenylbutyl)acetamide (PubChem CID 62987863) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 2-(2-amino-1,3-thiazol-4-yl)-N-(3-phenylbutyl)acetamide.

Molecular Properties

Compound Name2-(2-amino-1,3-thiazol-4-yl)-N-(3-phenylbutyl)acetamide
PubChem CID62987863
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name2-(2-amino-1,3-thiazol-4-yl)-N-(3-phenylbutyl)acetamide
SMILESCC(CCNC(=O)Cc1csc(N)n1)c1ccccc1
InChIInChI=1S/C15H19N3OS/c1-11(12-5-3-2-4-6-12)7-8-17-14(19)9-13-10-20-15(16)18-13/h2-6,10-11H,7-9H2,1H3,(H2,16,18)(H,17,19)
InChIKeyJKODXYPBFMRDFT-UHFFFAOYSA-N
XLogP2.58
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]ethyl]-2-methylpropanamide
CID 62798939
2-(2-amino-1,3-thiazol-4-yl)-N-(2-phenylethyl)acetamide
CID 3561835
3-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-2-phenylpropanoic acid
CID 62884193
2-(2-amino-1,3-thiazol-4-yl)-N-benzylacetamide
CID 39733641
2-(2-amino-1,3-thiazol-4-yl)-N-[2-(2-methylphenyl)ethyl]acetamide
CID 79749621
2-(2-amino-1,3-thiazol-4-yl)-N-(2-hydroxy-1-phenylethyl)acetamide
CID 63183740
2-(2-tert-butyl-1,3-thiazol-4-yl)-N-(3-hydroxy-3-phenylpropyl)acetamide
CID 111471780
2-amino-N-(2-phenylpropyl)-1,3-thiazole-4-carboxamide
CID 62789147
2-(2-amino-1,3-thiazol-4-yl)-N-(3-hydroxypropyl)acetamide
CID 62797982
2-(2-amino-1,3-thiazol-4-yl)-N-[3-[methyl(propan-2-yl)amino]propyl]acetamide
CID 106047664
2-(2-amino-1,3-thiazol-4-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 106047488
4-amino-N-(3-phenylbutyl)pyridine-2-carboxamide
CID 62987007

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-N-(3-phenylbutyl)acetamide?
The IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-N-(3-phenylbutyl)acetamide (CID 62987863) is 2-(2-amino-1,3-thiazol-4-yl)-N-(3-phenylbutyl)acetamide.
What is the SMILES notation for 2-(2-amino-1,3-thiazol-4-yl)-N-(3-phenylbutyl)acetamide?
The canonical SMILES for 2-(2-amino-1,3-thiazol-4-yl)-N-(3-phenylbutyl)acetamide is CC(CCNC(=O)Cc1csc(N)n1)c1ccccc1.
What is the InChIKey of 2-(2-amino-1,3-thiazol-4-yl)-N-(3-phenylbutyl)acetamide?
The InChIKey is JKODXYPBFMRDFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-11(12-5-3-2-4-6-12)7-8-17-14(19)9-13-10-20-15(16)18-13/h2-6,10-11H,7-9H2,1H3,(H2,16,18)(H,17,19).
What are the key properties of 2-(2-amino-1,3-thiazol-4-yl)-N-(3-phenylbutyl)acetamide?
2-(2-amino-1,3-thiazol-4-yl)-N-(3-phenylbutyl)acetamide has a molecular weight of 289.40 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-1,3-thiazol-4-yl)-N-(3-phenylbutyl)acetamide is sourced from PubChem (CID 62987863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).