N-(4-cyclohexylbutyl)-1,3-thiazole-2-carboxamide

C14H22N2OS — CID 142955503

IUPACN-(4-cyclohexylbutyl)-1,3-thiazole-2-carboxamide
SMILESO=C(NCCCCC1CCCCC1)c1nccs1
InChIInChI=1S/C14H22N2OS/c17-13(14-16-10-11-18-14)15-9-5-4-8-12-6-2-1-3-7-12/h10-12H,1-9H2,(H,15,17)
InChIKeyKLZQPSPEEFZOSF-UHFFFAOYSA-N
MW266.41 g/mol
LogP3.62
Rot. Bonds6

About N-(4-cyclohexylbutyl)-1,3-thiazole-2-carboxamide

N-(4-cyclohexylbutyl)-1,3-thiazole-2-carboxamide (PubChem CID 142955503) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is N-(4-cyclohexylbutyl)-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-(4-cyclohexylbutyl)-1,3-thiazole-2-carboxamide
PubChem CID142955503
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC NameN-(4-cyclohexylbutyl)-1,3-thiazole-2-carboxamide
SMILESO=C(NCCCCC1CCCCC1)c1nccs1
InChIInChI=1S/C14H22N2OS/c17-13(14-16-10-11-18-14)15-9-5-4-8-12-6-2-1-3-7-12/h10-12H,1-9H2,(H,15,17)
InChIKeyKLZQPSPEEFZOSF-UHFFFAOYSA-N
XLogP3.62
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 53.62
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-pentyl-1,3-thiazole-2-carboxamide
CID 110695980
N-(3-cyclopentylpropyl)-3-ethylthiophene-2-carboxamide
CID 55996333
N-[3-(3-cyclohexylpropanoylamino)phenyl]-1,3-thiazole-2-carboxamide
CID 17362343
5-(3-cyclohexylpropylcarbamoyl)pyrazine-2-carboxylic acid
CID 120685018
N-(aminomethyl)-1,3-thiazole-2-carboxamide
CID 123824838
N-(4-cyclohexylbutyl)-4-(pyridine-3-carbonyl)benzamide
CID 102121917
N-(3-cyclopentylpropyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 106015395
3-amino-N-(3-cyclopentylpropyl)thieno[2,3-b]pyridine-2-carboxamide
CID 106015905
N-(4-cyclopentylbutyl)-2-pyridin-3-ylacetamide
CID 71993774
2-amino-4-(1,3-thiazole-2-carbonylamino)butanoic acid
CID 67154487
N-(3-cyclopentylpropyl)-4-sulfanylthiophene-2-carboxamide
CID 114136943
5-amino-N-(3-cyclopentylpropyl)pyridine-2-carboxamide
CID 106006309

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclohexylbutyl)-1,3-thiazole-2-carboxamide?
The IUPAC name of N-(4-cyclohexylbutyl)-1,3-thiazole-2-carboxamide (CID 142955503) is N-(4-cyclohexylbutyl)-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-(4-cyclohexylbutyl)-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-(4-cyclohexylbutyl)-1,3-thiazole-2-carboxamide is O=C(NCCCCC1CCCCC1)c1nccs1.
What is the InChIKey of N-(4-cyclohexylbutyl)-1,3-thiazole-2-carboxamide?
The InChIKey is KLZQPSPEEFZOSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c17-13(14-16-10-11-18-14)15-9-5-4-8-12-6-2-1-3-7-12/h10-12H,1-9H2,(H,15,17).
What are the key properties of N-(4-cyclohexylbutyl)-1,3-thiazole-2-carboxamide?
N-(4-cyclohexylbutyl)-1,3-thiazole-2-carboxamide has a molecular weight of 266.41 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclohexylbutyl)-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 142955503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).