N-(1-cyclohexylpropyl)-1,3-thiazole-4-carboxamide

C13H20N2OS — CID 63050141

IUPACN-(1-cyclohexylpropyl)-1,3-thiazole-4-carboxamide
SMILESCCC(NC(=O)c1cscn1)C1CCCCC1
InChIInChI=1S/C13H20N2OS/c1-2-11(10-6-4-3-5-7-10)15-13(16)12-8-17-9-14-12/h8-11H,2-7H2,1H3,(H,15,16)
InChIKeyBLXHPFINVNQWJO-UHFFFAOYSA-N
MW252.38 g/mol
LogP3.23
Rot. Bonds4

About N-(1-cyclohexylpropyl)-1,3-thiazole-4-carboxamide

N-(1-cyclohexylpropyl)-1,3-thiazole-4-carboxamide (PubChem CID 63050141) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is N-(1-cyclohexylpropyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-cyclohexylpropyl)-1,3-thiazole-4-carboxamide
PubChem CID63050141
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC NameN-(1-cyclohexylpropyl)-1,3-thiazole-4-carboxamide
SMILESCCC(NC(=O)c1cscn1)C1CCCCC1
InChIInChI=1S/C13H20N2OS/c1-2-11(10-6-4-3-5-7-10)15-13(16)12-8-17-9-14-12/h8-11H,2-7H2,1H3,(H,15,16)
InChIKeyBLXHPFINVNQWJO-UHFFFAOYSA-N
XLogP3.23
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-cyclobutylethyl)-1,3-thiazole-4-carboxamide
CID 115769139
N-(1-cyclohexylpropyl)-4-hydrazinylpyridine-2-carboxamide
CID 62407089
N-(1-cyclohexylpropyl)-5-(methylamino)pyridine-2-carboxamide
CID 104641127
N-(1-cyclohexylpropyl)-5-(ethylamino)pyrazine-2-carboxamide
CID 107375429
N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 58337725
6-chloro-N-(1-cyclohexylpropyl)pyridine-2-carboxamide
CID 55069173
N-(1-cyclohexylpropyl)-6-hydrazinylpyridazine-3-carboxamide
CID 62407615
N-(4-methylpentan-2-yl)-1,3-thiazole-4-carboxamide
CID 63038589
N-(1-cyclohexylpropyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80617545
2-amino-N-(1-cyclohexylpropyl)-1,3-oxazole-5-carboxamide
CID 167984557
N-(1-cyclohexylpropyl)-2,5-dihydroxybenzamide
CID 107722905
N-(1-cyclohexylpropyl)-2,3-difluoropyridine-4-carboxamide
CID 105381145

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexylpropyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(1-cyclohexylpropyl)-1,3-thiazole-4-carboxamide (CID 63050141) is N-(1-cyclohexylpropyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(1-cyclohexylpropyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(1-cyclohexylpropyl)-1,3-thiazole-4-carboxamide is CCC(NC(=O)c1cscn1)C1CCCCC1.
What is the InChIKey of N-(1-cyclohexylpropyl)-1,3-thiazole-4-carboxamide?
The InChIKey is BLXHPFINVNQWJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-2-11(10-6-4-3-5-7-10)15-13(16)12-8-17-9-14-12/h8-11H,2-7H2,1H3,(H,15,16).
What are the key properties of N-(1-cyclohexylpropyl)-1,3-thiazole-4-carboxamide?
N-(1-cyclohexylpropyl)-1,3-thiazole-4-carboxamide has a molecular weight of 252.38 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexylpropyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 63050141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).