N-(4-tert-butyl-1,3-thiazol-2-yl)-3-phenylpropanamide

C16H20N2OS — CID 2971098

IUPACN-(4-tert-butyl-1,3-thiazol-2-yl)-3-phenylpropanamide
SMILESCC(C)(C)c1csc(NC(=O)CCc2ccccc2)n1
InChIInChI=1S/C16H20N2OS/c1-16(2,3)13-11-20-15(17-13)18-14(19)10-9-12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3,(H,17,18,19)
InChIKeySEFCEASXEICLCA-UHFFFAOYSA-N
MW288.42 g/mol
LogP4.01
Rot. Bonds4

About N-(4-tert-butyl-1,3-thiazol-2-yl)-3-phenylpropanamide

N-(4-tert-butyl-1,3-thiazol-2-yl)-3-phenylpropanamide (PubChem CID 2971098) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is N-(4-tert-butyl-1,3-thiazol-2-yl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-(4-tert-butyl-1,3-thiazol-2-yl)-3-phenylpropanamide
PubChem CID2971098
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC NameN-(4-tert-butyl-1,3-thiazol-2-yl)-3-phenylpropanamide
SMILESCC(C)(C)c1csc(NC(=O)CCc2ccccc2)n1
InChIInChI=1S/C16H20N2OS/c1-16(2,3)13-11-20-15(17-13)18-14(19)10-9-12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3,(H,17,18,19)
InChIKeySEFCEASXEICLCA-UHFFFAOYSA-N
XLogP4.01
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-3-phenylpropanamide?
The IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-3-phenylpropanamide (CID 2971098) is N-(4-tert-butyl-1,3-thiazol-2-yl)-3-phenylpropanamide.
What is the SMILES notation for N-(4-tert-butyl-1,3-thiazol-2-yl)-3-phenylpropanamide?
The canonical SMILES for N-(4-tert-butyl-1,3-thiazol-2-yl)-3-phenylpropanamide is CC(C)(C)c1csc(NC(=O)CCc2ccccc2)n1.
What is the InChIKey of N-(4-tert-butyl-1,3-thiazol-2-yl)-3-phenylpropanamide?
The InChIKey is SEFCEASXEICLCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-16(2,3)13-11-20-15(17-13)18-14(19)10-9-12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3,(H,17,18,19).
What are the key properties of N-(4-tert-butyl-1,3-thiazol-2-yl)-3-phenylpropanamide?
N-(4-tert-butyl-1,3-thiazol-2-yl)-3-phenylpropanamide has a molecular weight of 288.42 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butyl-1,3-thiazol-2-yl)-3-phenylpropanamide is sourced from PubChem (CID 2971098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).