N-(5-methyl-1,3-thiazol-2-yl)-3-phenylpropanamide

C13H14N2OS — CID 2083675

IUPACN-(5-methyl-1,3-thiazol-2-yl)-3-phenylpropanamide
SMILESCc1cnc(NC(=O)CCc2ccccc2)s1
InChIInChI=1S/C13H14N2OS/c1-10-9-14-13(17-10)15-12(16)8-7-11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,14,15,16)
InChIKeyHHHCOSJJWCSIRZ-UHFFFAOYSA-N
MW246.34 g/mol
LogP3.02
Rot. Bonds4

About N-(5-methyl-1,3-thiazol-2-yl)-3-phenylpropanamide

N-(5-methyl-1,3-thiazol-2-yl)-3-phenylpropanamide (PubChem CID 2083675) has the molecular formula C13H14N2OS and a molecular weight of 246.34 g/mol. Its IUPAC name is N-(5-methyl-1,3-thiazol-2-yl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-(5-methyl-1,3-thiazol-2-yl)-3-phenylpropanamide
PubChem CID2083675
Molecular FormulaC13H14N2OS
Molecular Weight246.34 g/mol
Exact Mass246.08
IUPAC NameN-(5-methyl-1,3-thiazol-2-yl)-3-phenylpropanamide
SMILESCc1cnc(NC(=O)CCc2ccccc2)s1
InChIInChI=1S/C13H14N2OS/c1-10-9-14-13(17-10)15-12(16)8-7-11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,14,15,16)
InChIKeyHHHCOSJJWCSIRZ-UHFFFAOYSA-N
XLogP3.02
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-3-phenylpropanamide?
The IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-3-phenylpropanamide (CID 2083675) is N-(5-methyl-1,3-thiazol-2-yl)-3-phenylpropanamide.
What is the SMILES notation for N-(5-methyl-1,3-thiazol-2-yl)-3-phenylpropanamide?
The canonical SMILES for N-(5-methyl-1,3-thiazol-2-yl)-3-phenylpropanamide is Cc1cnc(NC(=O)CCc2ccccc2)s1.
What is the InChIKey of N-(5-methyl-1,3-thiazol-2-yl)-3-phenylpropanamide?
The InChIKey is HHHCOSJJWCSIRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2OS/c1-10-9-14-13(17-10)15-12(16)8-7-11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,14,15,16).
What are the key properties of N-(5-methyl-1,3-thiazol-2-yl)-3-phenylpropanamide?
N-(5-methyl-1,3-thiazol-2-yl)-3-phenylpropanamide has a molecular weight of 246.34 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3-thiazol-2-yl)-3-phenylpropanamide is sourced from PubChem (CID 2083675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).