2-[4-(2-methylpropyl)phenyl]-N-(1,3-thiazol-2-yl)propanamide

C16H20N2OS — CID 3042319

IUPAC2-[4-(2-methylpropyl)phenyl]-N-(1,3-thiazol-2-yl)propanamide
SMILESCC(C)Cc1ccc(C(C)C(=O)Nc2nccs2)cc1
InChIInChI=1S/C16H20N2OS/c1-11(2)10-13-4-6-14(7-5-13)12(3)15(19)18-16-17-8-9-20-16/h4-9,11-12H,10H2,1-3H3,(H,17,18,19)
InChIKeyXXHYVCJVOSWFIG-UHFFFAOYSA-N
MW288.42 g/mol
LogP4.08
Rot. Bonds5

About 2-[4-(2-methylpropyl)phenyl]-N-(1,3-thiazol-2-yl)propanamide

2-[4-(2-methylpropyl)phenyl]-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 3042319) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is 2-[4-(2-methylpropyl)phenyl]-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-[4-(2-methylpropyl)phenyl]-N-(1,3-thiazol-2-yl)propanamide
PubChem CID3042319
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name2-[4-(2-methylpropyl)phenyl]-N-(1,3-thiazol-2-yl)propanamide
SMILESCC(C)Cc1ccc(C(C)C(=O)Nc2nccs2)cc1
InChIInChI=1S/C16H20N2OS/c1-11(2)10-13-4-6-14(7-5-13)12(3)15(19)18-16-17-8-9-20-16/h4-9,11-12H,10H2,1-3H3,(H,17,18,19)
InChIKeyXXHYVCJVOSWFIG-UHFFFAOYSA-N
XLogP4.08
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylpropyl)phenyl]-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 2-[4-(2-methylpropyl)phenyl]-N-(1,3-thiazol-2-yl)propanamide (CID 3042319) is 2-[4-(2-methylpropyl)phenyl]-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 2-[4-(2-methylpropyl)phenyl]-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 2-[4-(2-methylpropyl)phenyl]-N-(1,3-thiazol-2-yl)propanamide is CC(C)Cc1ccc(C(C)C(=O)Nc2nccs2)cc1.
What is the InChIKey of 2-[4-(2-methylpropyl)phenyl]-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is XXHYVCJVOSWFIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-11(2)10-13-4-6-14(7-5-13)12(3)15(19)18-16-17-8-9-20-16/h4-9,11-12H,10H2,1-3H3,(H,17,18,19).
What are the key properties of 2-[4-(2-methylpropyl)phenyl]-N-(1,3-thiazol-2-yl)propanamide?
2-[4-(2-methylpropyl)phenyl]-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 288.42 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylpropyl)phenyl]-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 3042319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).