N-(5-propyl-1,3-thiazol-2-yl)hexanamide

C12H20N2OS — CID 19029669

IUPACN-(5-propyl-1,3-thiazol-2-yl)hexanamide
SMILESCCCCCC(=O)Nc1ncc(CCC)s1
InChIInChI=1S/C12H20N2OS/c1-3-5-6-8-11(15)14-12-13-9-10(16-12)7-4-2/h9H,3-8H2,1-2H3,(H,13,14,15)
InChIKeyCTKXOIDMSWSOHT-UHFFFAOYSA-N
MW240.37 g/mol
LogP3.61
Rot. Bonds7

About N-(5-propyl-1,3-thiazol-2-yl)hexanamide

N-(5-propyl-1,3-thiazol-2-yl)hexanamide (PubChem CID 19029669) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is N-(5-propyl-1,3-thiazol-2-yl)hexanamide.

Molecular Properties

Compound NameN-(5-propyl-1,3-thiazol-2-yl)hexanamide
PubChem CID19029669
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC NameN-(5-propyl-1,3-thiazol-2-yl)hexanamide
SMILESCCCCCC(=O)Nc1ncc(CCC)s1
InChIInChI=1S/C12H20N2OS/c1-3-5-6-8-11(15)14-12-13-9-10(16-12)7-4-2/h9H,3-8H2,1-2H3,(H,13,14,15)
InChIKeyCTKXOIDMSWSOHT-UHFFFAOYSA-N
XLogP3.61
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(5-methyl-1,3-thiazol-2-yl)cyclohex-3-ene-1-carboxamide
CID 16285897
N-(5-Isopropyl-thiazol-2-yl)-isobutyramide
CID 44396116
N-(5-methyl-1,3-thiazol-2-yl)cyclopentanecarboxamide
CID 2579380
N,N'-bis[N'-[3-(2-amino-1,3-thiazol-5-yl)propyl]carbamimidoyl]octanediamide
CID 56954129
N,N'-bis[N'-[3-(2-amino-1,3-thiazol-5-yl)propyl]carbamimidoyl]decanediamide
CID 56954227
N,N'-bis[N'-[3-(2-amino-1,3-thiazol-5-yl)propyl]carbamimidoyl]hexadecanediamide
CID 56954229
N,N'-bis[N'-[3-(2-amino-1,3-thiazol-5-yl)propyl]carbamimidoyl]docosanediamide
CID 56954231
N-[5-(cyclohexylmethyl)thiazol-2-yl]cyclohexanecarboxamide
CID 118726221
3-cyclohexyl-N-[5-(cyclohexylmethyl)thiazol-2-yl]propanamide
CID 118726223
N-[5-(cyclopentylmethyl)-1,3-thiazol-2-yl]cyclohexanecarboxamide
CID 145967505
2-cyclopentyl-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 2673091
3-cyclopentyl-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 897357

Frequently Asked Questions

What is the IUPAC name of N-(5-propyl-1,3-thiazol-2-yl)hexanamide?
The IUPAC name of N-(5-propyl-1,3-thiazol-2-yl)hexanamide (CID 19029669) is N-(5-propyl-1,3-thiazol-2-yl)hexanamide.
What is the SMILES notation for N-(5-propyl-1,3-thiazol-2-yl)hexanamide?
The canonical SMILES for N-(5-propyl-1,3-thiazol-2-yl)hexanamide is CCCCCC(=O)Nc1ncc(CCC)s1.
What is the InChIKey of N-(5-propyl-1,3-thiazol-2-yl)hexanamide?
The InChIKey is CTKXOIDMSWSOHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-3-5-6-8-11(15)14-12-13-9-10(16-12)7-4-2/h9H,3-8H2,1-2H3,(H,13,14,15).
What are the key properties of N-(5-propyl-1,3-thiazol-2-yl)hexanamide?
N-(5-propyl-1,3-thiazol-2-yl)hexanamide has a molecular weight of 240.37 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-propyl-1,3-thiazol-2-yl)hexanamide is sourced from PubChem (CID 19029669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).