N-[4-(4-cyclopentyl-2-ethyl-1,3-thiazol-5-yl)phenyl]propanamide

C19H24N2OS — CID 142057392

IUPACN-[4-(4-cyclopentyl-2-ethyl-1,3-thiazol-5-yl)phenyl]propanamide
SMILESCCC(=O)Nc1ccc(-c2sc(CC)nc2C2CCCC2)cc1
InChIInChI=1S/C19H24N2OS/c1-3-16(22)20-15-11-9-14(10-12-15)19-18(13-7-5-6-8-13)21-17(4-2)23-19/h9-13H,3-8H2,1-2H3,(H,20,22)
InChIKeyHFZVNBUHLGLMJX-UHFFFAOYSA-N
MW328.48 g/mol
LogP5.38
Rot. Bonds5

About N-[4-(4-cyclopentyl-2-ethyl-1,3-thiazol-5-yl)phenyl]propanamide

N-[4-(4-cyclopentyl-2-ethyl-1,3-thiazol-5-yl)phenyl]propanamide (PubChem CID 142057392) has the molecular formula C19H24N2OS and a molecular weight of 328.48 g/mol. Its IUPAC name is N-[4-(4-cyclopentyl-2-ethyl-1,3-thiazol-5-yl)phenyl]propanamide.

Molecular Properties

Compound NameN-[4-(4-cyclopentyl-2-ethyl-1,3-thiazol-5-yl)phenyl]propanamide
PubChem CID142057392
Molecular FormulaC19H24N2OS
Molecular Weight328.48 g/mol
Exact Mass328.16
IUPAC NameN-[4-(4-cyclopentyl-2-ethyl-1,3-thiazol-5-yl)phenyl]propanamide
SMILESCCC(=O)Nc1ccc(-c2sc(CC)nc2C2CCCC2)cc1
InChIInChI=1S/C19H24N2OS/c1-3-16(22)20-15-11-9-14(10-12-15)19-18(13-7-5-6-8-13)21-17(4-2)23-19/h9-13H,3-8H2,1-2H3,(H,20,22)
InChIKeyHFZVNBUHLGLMJX-UHFFFAOYSA-N
XLogP5.38
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.48
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-cyclopentyl-2-ethyl-1,3-thiazol-5-yl)phenyl]propanamide?
The IUPAC name of N-[4-(4-cyclopentyl-2-ethyl-1,3-thiazol-5-yl)phenyl]propanamide (CID 142057392) is N-[4-(4-cyclopentyl-2-ethyl-1,3-thiazol-5-yl)phenyl]propanamide.
What is the SMILES notation for N-[4-(4-cyclopentyl-2-ethyl-1,3-thiazol-5-yl)phenyl]propanamide?
The canonical SMILES for N-[4-(4-cyclopentyl-2-ethyl-1,3-thiazol-5-yl)phenyl]propanamide is CCC(=O)Nc1ccc(-c2sc(CC)nc2C2CCCC2)cc1.
What is the InChIKey of N-[4-(4-cyclopentyl-2-ethyl-1,3-thiazol-5-yl)phenyl]propanamide?
The InChIKey is HFZVNBUHLGLMJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2OS/c1-3-16(22)20-15-11-9-14(10-12-15)19-18(13-7-5-6-8-13)21-17(4-2)23-19/h9-13H,3-8H2,1-2H3,(H,20,22).
What are the key properties of N-[4-(4-cyclopentyl-2-ethyl-1,3-thiazol-5-yl)phenyl]propanamide?
N-[4-(4-cyclopentyl-2-ethyl-1,3-thiazol-5-yl)phenyl]propanamide has a molecular weight of 328.48 g/mol, XLogP of 5.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-cyclopentyl-2-ethyl-1,3-thiazol-5-yl)phenyl]propanamide is sourced from PubChem (CID 142057392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).