2-[[2-(5-methyl-1,3-thiazol-2-yl)acetyl]amino]-2-phenylpropanamide

C15H17N3O2S — CID 138996384

IUPAC2-[[2-(5-methyl-1,3-thiazol-2-yl)acetyl]amino]-2-phenylpropanamide
SMILESCc1cnc(CC(=O)NC(C)(C(N)=O)c2ccccc2)s1
InChIInChI=1S/C15H17N3O2S/c1-10-9-17-13(21-10)8-12(19)18-15(2,14(16)20)11-6-4-3-5-7-11/h3-7,9H,8H2,1-2H3,(H2,16,20)(H,18,19)
InChIKeyAOVFOCSGXKOZBB-UHFFFAOYSA-N
MW303.39 g/mol
LogP1.51
Rot. Bonds5

About 2-[[2-(5-methyl-1,3-thiazol-2-yl)acetyl]amino]-2-phenylpropanamide

2-[[2-(5-methyl-1,3-thiazol-2-yl)acetyl]amino]-2-phenylpropanamide (PubChem CID 138996384) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is 2-[[2-(5-methyl-1,3-thiazol-2-yl)acetyl]amino]-2-phenylpropanamide.

Molecular Properties

Compound Name2-[[2-(5-methyl-1,3-thiazol-2-yl)acetyl]amino]-2-phenylpropanamide
PubChem CID138996384
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC Name2-[[2-(5-methyl-1,3-thiazol-2-yl)acetyl]amino]-2-phenylpropanamide
SMILESCc1cnc(CC(=O)NC(C)(C(N)=O)c2ccccc2)s1
InChIInChI=1S/C15H17N3O2S/c1-10-9-17-13(21-10)8-12(19)18-15(2,14(16)20)11-6-4-3-5-7-11/h3-7,9H,8H2,1-2H3,(H2,16,20)(H,18,19)
InChIKeyAOVFOCSGXKOZBB-UHFFFAOYSA-N
XLogP1.51
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-1-oxo-2-phenylpropan-2-yl)pyridine-4-carboxamide
CID 139000795
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CID 96523163
N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 110739296
N-(1-amino-1-oxo-2-phenylpropan-2-yl)-5-bromopyridine-2-carboxamide
CID 122156320
2-(2-methylphenyl)-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 110739358
3-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 69134787
2-(5-methyl-1,3-thiazol-2-yl)ethylurea
CID 130652199
3-amino-3-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]butanamide
CID 103814782
1-(5-methyl-1,3-thiazol-2-yl)-5-phenylpentan-2-one
CID 159279317
(5-methyl-1,3-thiazol-2-yl)methylurea
CID 103708250
N-[(2R)-1-amino-1-oxo-2-phenylpropan-2-yl]-1,6-naphthyridine-4-carboxamide
CID 99787443
(2R)-2-amino-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-3-phenylpropanamide
CID 103814799

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(5-methyl-1,3-thiazol-2-yl)acetyl]amino]-2-phenylpropanamide?
The IUPAC name of 2-[[2-(5-methyl-1,3-thiazol-2-yl)acetyl]amino]-2-phenylpropanamide (CID 138996384) is 2-[[2-(5-methyl-1,3-thiazol-2-yl)acetyl]amino]-2-phenylpropanamide.
What is the SMILES notation for 2-[[2-(5-methyl-1,3-thiazol-2-yl)acetyl]amino]-2-phenylpropanamide?
The canonical SMILES for 2-[[2-(5-methyl-1,3-thiazol-2-yl)acetyl]amino]-2-phenylpropanamide is Cc1cnc(CC(=O)NC(C)(C(N)=O)c2ccccc2)s1.
What is the InChIKey of 2-[[2-(5-methyl-1,3-thiazol-2-yl)acetyl]amino]-2-phenylpropanamide?
The InChIKey is AOVFOCSGXKOZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S/c1-10-9-17-13(21-10)8-12(19)18-15(2,14(16)20)11-6-4-3-5-7-11/h3-7,9H,8H2,1-2H3,(H2,16,20)(H,18,19).
What are the key properties of 2-[[2-(5-methyl-1,3-thiazol-2-yl)acetyl]amino]-2-phenylpropanamide?
2-[[2-(5-methyl-1,3-thiazol-2-yl)acetyl]amino]-2-phenylpropanamide has a molecular weight of 303.39 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(5-methyl-1,3-thiazol-2-yl)acetyl]amino]-2-phenylpropanamide is sourced from PubChem (CID 138996384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).