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

C13H15N3OS — CID 3561835

IUPAC2-(2-amino-1,3-thiazol-4-yl)-N-(2-phenylethyl)acetamide
SMILESNc1nc(CC(=O)NCCc2ccccc2)cs1
InChIInChI=1S/C13H15N3OS/c14-13-16-11(9-18-13)8-12(17)15-7-6-10-4-2-1-3-5-10/h1-5,9H,6-8H2,(H2,14,16)(H,15,17)
InChIKeyLVDFTMZYOPQEQF-UHFFFAOYSA-N
MW261.35 g/mol
LogP1.63
Rot. Bonds5

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

2-(2-amino-1,3-thiazol-4-yl)-N-(2-phenylethyl)acetamide (PubChem CID 3561835) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is 2-(2-amino-1,3-thiazol-4-yl)-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(2-amino-1,3-thiazol-4-yl)-N-(2-phenylethyl)acetamide
PubChem CID3561835
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC Name2-(2-amino-1,3-thiazol-4-yl)-N-(2-phenylethyl)acetamide
SMILESNc1nc(CC(=O)NCCc2ccccc2)cs1
InChIInChI=1S/C13H15N3OS/c14-13-16-11(9-18-13)8-12(17)15-7-6-10-4-2-1-3-5-10/h1-5,9H,6-8H2,(H2,14,16)(H,15,17)
InChIKeyLVDFTMZYOPQEQF-UHFFFAOYSA-N
XLogP1.63
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-amino-1,3-thiazol-4-yl)-N-[2-(4-hydroxyphenyl)ethyl]acetamide
CID 62798218
2-(2-amino-1,3-thiazol-4-yl)-N-[2-(3-hydroxyphenyl)ethyl]acetamide
CID 110483661
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-(1-aminoethyl)-1,3-thiazol-4-yl]-N-(2-phenylethyl)acetamide
CID 82547633
2-(2-amino-1,3-thiazol-4-yl)-N-[2-(furan-2-yl)ethyl]acetamide
CID 55119881
2-(2-amino-1,3-thiazol-4-yl)-N-(3-phenylbutyl)acetamide
CID 62987863
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-(3-methylphenyl)acetamide
CID 110717883
2-(2-amino-1,3-thiazol-4-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 106047488
2-(2-amino-1,3-thiazol-4-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 110386143
2-(2-amino-1,3-thiazol-4-yl)-N-[2,3,5,6-tetrahydroxy-4-[2-(2-phenylethylamino)ethyl]phenyl]acetamide
CID 91102382
2-(2-amino-1,3-thiazol-4-yl)-N-(3-hydroxypropyl)acetamide
CID 62797982

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-N-(2-phenylethyl)acetamide (CID 3561835) is 2-(2-amino-1,3-thiazol-4-yl)-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-(2-amino-1,3-thiazol-4-yl)-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-(2-amino-1,3-thiazol-4-yl)-N-(2-phenylethyl)acetamide is Nc1nc(CC(=O)NCCc2ccccc2)cs1.
What is the InChIKey of 2-(2-amino-1,3-thiazol-4-yl)-N-(2-phenylethyl)acetamide?
The InChIKey is LVDFTMZYOPQEQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c14-13-16-11(9-18-13)8-12(17)15-7-6-10-4-2-1-3-5-10/h1-5,9H,6-8H2,(H2,14,16)(H,15,17).
What are the key properties of 2-(2-amino-1,3-thiazol-4-yl)-N-(2-phenylethyl)acetamide?
2-(2-amino-1,3-thiazol-4-yl)-N-(2-phenylethyl)acetamide has a molecular weight of 261.35 g/mol, XLogP of 1.63, 5 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-(2-phenylethyl)acetamide is sourced from PubChem (CID 3561835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).