N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenylpentanamide

C14H18N2OS — CID 4877567

IUPACN-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenylpentanamide
SMILESCCCC(C(=O)NC1=NCCS1)c1ccccc1
InChIInChI=1S/C14H18N2OS/c1-2-6-12(11-7-4-3-5-8-11)13(17)16-14-15-9-10-18-14/h3-5,7-8,12H,2,6,9-10H2,1H3,(H,15,16,17)
InChIKeyLYOJZTBFUOPKBA-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.79
Rot. Bonds4

About N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenylpentanamide

N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenylpentanamide (PubChem CID 4877567) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenylpentanamide.

Molecular Properties

Compound NameN-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenylpentanamide
PubChem CID4877567
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC NameN-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenylpentanamide
SMILESCCCC(C(=O)NC1=NCCS1)c1ccccc1
InChIInChI=1S/C14H18N2OS/c1-2-6-12(11-7-4-3-5-8-11)13(17)16-14-15-9-10-18-14/h3-5,7-8,12H,2,6,9-10H2,1H3,(H,15,16,17)
InChIKeyLYOJZTBFUOPKBA-UHFFFAOYSA-N
XLogP2.79
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenylpentanamide?
The IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenylpentanamide (CID 4877567) is N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenylpentanamide.
What is the SMILES notation for N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenylpentanamide?
The canonical SMILES for N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenylpentanamide is CCCC(C(=O)NC1=NCCS1)c1ccccc1.
What is the InChIKey of N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenylpentanamide?
The InChIKey is LYOJZTBFUOPKBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-2-6-12(11-7-4-3-5-8-11)13(17)16-14-15-9-10-18-14/h3-5,7-8,12H,2,6,9-10H2,1H3,(H,15,16,17).
What are the key properties of N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenylpentanamide?
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenylpentanamide has a molecular weight of 262.38 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenylpentanamide is sourced from PubChem (CID 4877567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).