3-amino-3-phenyl-N-(1,3-thiazol-4-ylmethyl)propanamide

C13H15N3OS — CID 63824817

IUPAC3-amino-3-phenyl-N-(1,3-thiazol-4-ylmethyl)propanamide
SMILESNC(CC(=O)NCc1cscn1)c1ccccc1
InChIInChI=1S/C13H15N3OS/c14-12(10-4-2-1-3-5-10)6-13(17)15-7-11-8-18-9-16-11/h1-5,8-9,12H,6-7,14H2,(H,15,17)
InChIKeyMAQLZRKHKMSQNL-UHFFFAOYSA-N
MW261.35 g/mol
LogP1.85
Rot. Bonds5

About 3-amino-3-phenyl-N-(1,3-thiazol-4-ylmethyl)propanamide

3-amino-3-phenyl-N-(1,3-thiazol-4-ylmethyl)propanamide (PubChem CID 63824817) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is 3-amino-3-phenyl-N-(1,3-thiazol-4-ylmethyl)propanamide.

Molecular Properties

Compound Name3-amino-3-phenyl-N-(1,3-thiazol-4-ylmethyl)propanamide
PubChem CID63824817
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC Name3-amino-3-phenyl-N-(1,3-thiazol-4-ylmethyl)propanamide
SMILESNC(CC(=O)NCc1cscn1)c1ccccc1
InChIInChI=1S/C13H15N3OS/c14-12(10-4-2-1-3-5-10)6-13(17)15-7-11-8-18-9-16-11/h1-5,8-9,12H,6-7,14H2,(H,15,17)
InChIKeyMAQLZRKHKMSQNL-UHFFFAOYSA-N
XLogP1.85
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 ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 106896210
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CID 63831536
3-phenyl-3-(1,3-thiazol-4-ylmethylcarbamoylamino)propanoic acid
CID 63825576
3-amino-N-(2-amino-2-methylpropyl)-3-phenylpropanamide
CID 122080831
3-amino-N-[(4-methylphenyl)methyl]-3-phenylpropanamide
CID 24705411
3-amino-N-[(4-chlorophenyl)methyl]-3-phenylpropanamide
CID 43208733
3-amino-N-[[2-(methoxymethyl)phenyl]methyl]-3-phenylpropanamide;hydrochloride
CID 119949726
2-(2-methoxyphenyl)-N-(1,3-thiazol-4-ylmethyl)acetamide
CID 49346575
1-[(1R)-3-hydroxy-1-phenylpropyl]-3-(1,3-thiazol-4-ylmethyl)urea
CID 111454997
3-(ethylamino)-N-(1,3-thiazol-4-ylmethyl)butanamide
CID 63824458
methyl 3-[(3-amino-3-phenylpropanoyl)amino]-2-methylpropanoate
CID 119951074
3-amino-N-[[3-(hydroxymethyl)phenyl]methyl]-3-phenylpropanamide
CID 103823770

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-phenyl-N-(1,3-thiazol-4-ylmethyl)propanamide?
The IUPAC name of 3-amino-3-phenyl-N-(1,3-thiazol-4-ylmethyl)propanamide (CID 63824817) is 3-amino-3-phenyl-N-(1,3-thiazol-4-ylmethyl)propanamide.
What is the SMILES notation for 3-amino-3-phenyl-N-(1,3-thiazol-4-ylmethyl)propanamide?
The canonical SMILES for 3-amino-3-phenyl-N-(1,3-thiazol-4-ylmethyl)propanamide is NC(CC(=O)NCc1cscn1)c1ccccc1.
What is the InChIKey of 3-amino-3-phenyl-N-(1,3-thiazol-4-ylmethyl)propanamide?
The InChIKey is MAQLZRKHKMSQNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c14-12(10-4-2-1-3-5-10)6-13(17)15-7-11-8-18-9-16-11/h1-5,8-9,12H,6-7,14H2,(H,15,17).
What are the key properties of 3-amino-3-phenyl-N-(1,3-thiazol-4-ylmethyl)propanamide?
3-amino-3-phenyl-N-(1,3-thiazol-4-ylmethyl)propanamide has a molecular weight of 261.35 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-phenyl-N-(1,3-thiazol-4-ylmethyl)propanamide is sourced from PubChem (CID 63824817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).