N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(4-propan-2-ylphenyl)propanamide

C15H20N2OS — CID 47242079

IUPACN-(4,5-dihydro-1,3-thiazol-2-yl)-3-(4-propan-2-ylphenyl)propanamide
SMILESCC(C)c1ccc(CCC(=O)NC2=NCCS2)cc1
InChIInChI=1S/C15H20N2OS/c1-11(2)13-6-3-12(4-7-13)5-8-14(18)17-15-16-9-10-19-15/h3-4,6-7,11H,5,8-10H2,1-2H3,(H,16,17,18)
InChIKeyGSSCOTIDXCSLFK-UHFFFAOYSA-N
MW276.41 g/mol
LogP2.96
Rot. Bonds4

About N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(4-propan-2-ylphenyl)propanamide

N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(4-propan-2-ylphenyl)propanamide (PubChem CID 47242079) has the molecular formula C15H20N2OS and a molecular weight of 276.41 g/mol. Its IUPAC name is N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(4-propan-2-ylphenyl)propanamide.

Molecular Properties

Compound NameN-(4,5-dihydro-1,3-thiazol-2-yl)-3-(4-propan-2-ylphenyl)propanamide
PubChem CID47242079
Molecular FormulaC15H20N2OS
Molecular Weight276.41 g/mol
Exact Mass276.13
IUPAC NameN-(4,5-dihydro-1,3-thiazol-2-yl)-3-(4-propan-2-ylphenyl)propanamide
SMILESCC(C)c1ccc(CCC(=O)NC2=NCCS2)cc1
InChIInChI=1S/C15H20N2OS/c1-11(2)13-6-3-12(4-7-13)5-8-14(18)17-15-16-9-10-19-15/h3-4,6-7,11H,5,8-10H2,1-2H3,(H,16,17,18)
InChIKeyGSSCOTIDXCSLFK-UHFFFAOYSA-N
XLogP2.96
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 52.96
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)-3-(4-propan-2-ylphenyl)propanamide?
The IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(4-propan-2-ylphenyl)propanamide (CID 47242079) is N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(4-propan-2-ylphenyl)propanamide.
What is the SMILES notation for N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(4-propan-2-ylphenyl)propanamide?
The canonical SMILES for N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(4-propan-2-ylphenyl)propanamide is CC(C)c1ccc(CCC(=O)NC2=NCCS2)cc1.
What is the InChIKey of N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(4-propan-2-ylphenyl)propanamide?
The InChIKey is GSSCOTIDXCSLFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-11(2)13-6-3-12(4-7-13)5-8-14(18)17-15-16-9-10-19-15/h3-4,6-7,11H,5,8-10H2,1-2H3,(H,16,17,18).
What are the key properties of N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(4-propan-2-ylphenyl)propanamide?
N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(4-propan-2-ylphenyl)propanamide has a molecular weight of 276.41 g/mol, XLogP of 2.96, 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)-3-(4-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 47242079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).