3-amino-2-phenyl-N-(1,3-thiazol-2-ylmethyl)propanamide

C13H15N3OS — CID 62878373

IUPAC3-amino-2-phenyl-N-(1,3-thiazol-2-ylmethyl)propanamide
SMILESNCC(C(=O)NCc1nccs1)c1ccccc1
InChIInChI=1S/C13H15N3OS/c14-8-11(10-4-2-1-3-5-10)13(17)16-9-12-15-6-7-18-12/h1-7,11H,8-9,14H2,(H,16,17)
InChIKeyQDEMJLGDTJNDTP-UHFFFAOYSA-N
MW261.35 g/mol
LogP1.50
Rot. Bonds5

About 3-amino-2-phenyl-N-(1,3-thiazol-2-ylmethyl)propanamide

3-amino-2-phenyl-N-(1,3-thiazol-2-ylmethyl)propanamide (PubChem CID 62878373) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is 3-amino-2-phenyl-N-(1,3-thiazol-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-amino-2-phenyl-N-(1,3-thiazol-2-ylmethyl)propanamide
PubChem CID62878373
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC Name3-amino-2-phenyl-N-(1,3-thiazol-2-ylmethyl)propanamide
SMILESNCC(C(=O)NCc1nccs1)c1ccccc1
InChIInChI=1S/C13H15N3OS/c14-8-11(10-4-2-1-3-5-10)13(17)16-9-12-15-6-7-18-12/h1-7,11H,8-9,14H2,(H,16,17)
InChIKeyQDEMJLGDTJNDTP-UHFFFAOYSA-N
XLogP1.50
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 ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-N-(1,3-thiazol-2-ylmethyl)pentanamide
CID 129204775
(2R)-2-amino-3-phenyl-N-(1,3-thiazol-2-ylmethyl)propanamide
CID 78985618
2-amino-4-phenyl-N-(1,3-thiazol-2-ylmethyl)butanamide
CID 114927829
3-amino-N-[(2-methylpyrimidin-4-yl)methyl]-2-phenylpropanamide;hydrochloride
CID 119742337
3-amino-N-[(3-methyl-2-pyridinyl)methyl]-2-phenylpropanamide;dihydrochloride
CID 119869372
(2S)-2-phenyl-N-(1,3-thiazol-2-ylmethyl)-2-thiomorpholin-4-ylacetamide
CID 95302146
2-phenyl-N-(1,3-thiazol-2-ylmethyl)acetamide
CID 110442320
3-amino-N-(1,3-thiazol-2-ylmethyl)propanamide
CID 61284856
(2S)-2-amino-N-(1,3-thiazol-2-ylmethyl)butanamide
CID 79023405
3-amino-N-[(5-ethylthiophen-2-yl)methyl]-2-phenylpropanamide;hydrochloride
CID 119727860
3-amino-N-[[2-(ethoxymethyl)phenyl]methyl]-2-phenylpropanamide
CID 119718321
3-amino-2-phenyl-N-(1H-pyrazol-4-ylmethyl)propanamide
CID 62877321

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-phenyl-N-(1,3-thiazol-2-ylmethyl)propanamide?
The IUPAC name of 3-amino-2-phenyl-N-(1,3-thiazol-2-ylmethyl)propanamide (CID 62878373) is 3-amino-2-phenyl-N-(1,3-thiazol-2-ylmethyl)propanamide.
What is the SMILES notation for 3-amino-2-phenyl-N-(1,3-thiazol-2-ylmethyl)propanamide?
The canonical SMILES for 3-amino-2-phenyl-N-(1,3-thiazol-2-ylmethyl)propanamide is NCC(C(=O)NCc1nccs1)c1ccccc1.
What is the InChIKey of 3-amino-2-phenyl-N-(1,3-thiazol-2-ylmethyl)propanamide?
The InChIKey is QDEMJLGDTJNDTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c14-8-11(10-4-2-1-3-5-10)13(17)16-9-12-15-6-7-18-12/h1-7,11H,8-9,14H2,(H,16,17).
What are the key properties of 3-amino-2-phenyl-N-(1,3-thiazol-2-ylmethyl)propanamide?
3-amino-2-phenyl-N-(1,3-thiazol-2-ylmethyl)propanamide has a molecular weight of 261.35 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-phenyl-N-(1,3-thiazol-2-ylmethyl)propanamide is sourced from PubChem (CID 62878373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).