N-(5-benzyl-1,3-thiazol-2-yl)-3-cyclohexylpropanamide

C19H24N2OS — CID 118726193

IUPACN-(5-benzyl-1,3-thiazol-2-yl)-3-cyclohexylpropanamide
SMILESO=C(CCC1CCCCC1)Nc1ncc(Cc2ccccc2)s1
InChIInChI=1S/C19H24N2OS/c22-18(12-11-15-7-3-1-4-8-15)21-19-20-14-17(23-19)13-16-9-5-2-6-10-16/h2,5-6,9-10,14-15H,1,3-4,7-8,11-13H2,(H,20,21,22)
InChIKeyITLNLKAWTBJEQP-UHFFFAOYSA-N
MW328.48 g/mol
LogP5.03
Rot. Bonds6

About N-(5-benzyl-1,3-thiazol-2-yl)-3-cyclohexylpropanamide

N-(5-benzyl-1,3-thiazol-2-yl)-3-cyclohexylpropanamide (PubChem CID 118726193) has the molecular formula C19H24N2OS and a molecular weight of 328.48 g/mol. Its IUPAC name is N-(5-benzyl-1,3-thiazol-2-yl)-3-cyclohexylpropanamide.

Molecular Properties

Compound NameN-(5-benzyl-1,3-thiazol-2-yl)-3-cyclohexylpropanamide
PubChem CID118726193
Molecular FormulaC19H24N2OS
Molecular Weight328.48 g/mol
Exact Mass328.16
IUPAC NameN-(5-benzyl-1,3-thiazol-2-yl)-3-cyclohexylpropanamide
SMILESO=C(CCC1CCCCC1)Nc1ncc(Cc2ccccc2)s1
InChIInChI=1S/C19H24N2OS/c22-18(12-11-15-7-3-1-4-8-15)21-19-20-14-17(23-19)13-16-9-5-2-6-10-16/h2,5-6,9-10,14-15H,1,3-4,7-8,11-13H2,(H,20,21,22)
InChIKeyITLNLKAWTBJEQP-UHFFFAOYSA-N
XLogP5.03
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.48
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-benzyl-1,3-thiazol-2-yl)-3-cyclohexylpropanamide?
The IUPAC name of N-(5-benzyl-1,3-thiazol-2-yl)-3-cyclohexylpropanamide (CID 118726193) is N-(5-benzyl-1,3-thiazol-2-yl)-3-cyclohexylpropanamide.
What is the SMILES notation for N-(5-benzyl-1,3-thiazol-2-yl)-3-cyclohexylpropanamide?
The canonical SMILES for N-(5-benzyl-1,3-thiazol-2-yl)-3-cyclohexylpropanamide is O=C(CCC1CCCCC1)Nc1ncc(Cc2ccccc2)s1.
What is the InChIKey of N-(5-benzyl-1,3-thiazol-2-yl)-3-cyclohexylpropanamide?
The InChIKey is ITLNLKAWTBJEQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2OS/c22-18(12-11-15-7-3-1-4-8-15)21-19-20-14-17(23-19)13-16-9-5-2-6-10-16/h2,5-6,9-10,14-15H,1,3-4,7-8,11-13H2,(H,20,21,22).
What are the key properties of N-(5-benzyl-1,3-thiazol-2-yl)-3-cyclohexylpropanamide?
N-(5-benzyl-1,3-thiazol-2-yl)-3-cyclohexylpropanamide has a molecular weight of 328.48 g/mol, XLogP of 5.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzyl-1,3-thiazol-2-yl)-3-cyclohexylpropanamide is sourced from PubChem (CID 118726193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).