N-(4-tert-butyl-1,3-thiazol-2-yl)cyclohexanecarboxamide

C14H22N2OS — CID 857960

IUPACN-(4-tert-butyl-1,3-thiazol-2-yl)cyclohexanecarboxamide
SMILESCC(C)(C)c1csc(NC(=O)C2CCCCC2)n1
InChIInChI=1S/C14H22N2OS/c1-14(2,3)11-9-18-13(15-11)16-12(17)10-7-5-4-6-8-10/h9-10H,4-8H2,1-3H3,(H,15,16,17)
InChIKeyIRWLQYROJKUQOP-UHFFFAOYSA-N
MW266.41 g/mol
LogP3.96
Rot. Bonds2

About N-(4-tert-butyl-1,3-thiazol-2-yl)cyclohexanecarboxamide

N-(4-tert-butyl-1,3-thiazol-2-yl)cyclohexanecarboxamide (PubChem CID 857960) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is N-(4-tert-butyl-1,3-thiazol-2-yl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(4-tert-butyl-1,3-thiazol-2-yl)cyclohexanecarboxamide
PubChem CID857960
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC NameN-(4-tert-butyl-1,3-thiazol-2-yl)cyclohexanecarboxamide
SMILESCC(C)(C)c1csc(NC(=O)C2CCCCC2)n1
InChIInChI=1S/C14H22N2OS/c1-14(2,3)11-9-18-13(15-11)16-12(17)10-7-5-4-6-8-10/h9-10H,4-8H2,1-3H3,(H,15,16,17)
InChIKeyIRWLQYROJKUQOP-UHFFFAOYSA-N
XLogP3.96
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methyl-1,3-thiazol-2-yl)cyclohexanecarboxamide
CID 836485
N-(4,5-dimethyl-1,3-thiazol-2-yl)cyclohexanecarboxamide
CID 903390
N-(4-methyl-1,3-thiazol-2-yl)cyclopentanecarboxamide
CID 2679296
N-(4-methyl-1,3-thiazol-2-yl)adamantane-1-carboxamide
CID 4140053
N-[4-(1-adamantyl)thiazol-2-yl]-3-cyclohexyl-propanamide
CID 23761567
N-[4-(1-adamantyl)thiazol-2-yl]cyclohexanecarboxamide
CID 24102945
N-[4-(1-adamantyl)thiazol-2-yl]cyclopentanecarboxamide
CID 118726229
N-(4-tert-butyl-1,3-thiazol-2-yl)cyclobutanecarboxamide
CID 1244149
N-(4-tert-Butyl-1,3-thiazol-2-yl)acetamide
CID 588190
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-cyclohexylacetamide
CID 1441341
N-(4-tert-butyl-1,3-thiazol-2-yl)-2,2-dimethylpropanamide
CID 57792389
N-[4-(1-adamantyl)thiazol-2-yl]-2-methyl-propanamide
CID 24575844

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)cyclohexanecarboxamide?
The IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)cyclohexanecarboxamide (CID 857960) is N-(4-tert-butyl-1,3-thiazol-2-yl)cyclohexanecarboxamide.
What is the SMILES notation for N-(4-tert-butyl-1,3-thiazol-2-yl)cyclohexanecarboxamide?
The canonical SMILES for N-(4-tert-butyl-1,3-thiazol-2-yl)cyclohexanecarboxamide is CC(C)(C)c1csc(NC(=O)C2CCCCC2)n1.
What is the InChIKey of N-(4-tert-butyl-1,3-thiazol-2-yl)cyclohexanecarboxamide?
The InChIKey is IRWLQYROJKUQOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-14(2,3)11-9-18-13(15-11)16-12(17)10-7-5-4-6-8-10/h9-10H,4-8H2,1-3H3,(H,15,16,17).
What are the key properties of N-(4-tert-butyl-1,3-thiazol-2-yl)cyclohexanecarboxamide?
N-(4-tert-butyl-1,3-thiazol-2-yl)cyclohexanecarboxamide has a molecular weight of 266.41 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butyl-1,3-thiazol-2-yl)cyclohexanecarboxamide is sourced from PubChem (CID 857960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).