ethane;4-(4-ethylcyclohexyl)-5-methyl-1,3-thiazole

C14H25NS — CID 176552732

IUPACethane;4-(4-ethylcyclohexyl)-5-methyl-1,3-thiazole
SMILESCC.CCC1CCC(c2ncsc2C)CC1
InChIInChI=1S/C12H19NS.C2H6/c1-3-10-4-6-11(7-5-10)12-9(2)14-8-13-12;1-2/h8,10-11H,3-7H2,1-2H3;1-2H3
InChIKeyXTUMRYZRZDVSMM-UHFFFAOYSA-N
MW239.43 g/mol
LogP5.16
Rot. Bonds2

About ethane;4-(4-ethylcyclohexyl)-5-methyl-1,3-thiazole

ethane;4-(4-ethylcyclohexyl)-5-methyl-1,3-thiazole (PubChem CID 176552732) has the molecular formula C14H25NS and a molecular weight of 239.43 g/mol. Its IUPAC name is ethane;4-(4-ethylcyclohexyl)-5-methyl-1,3-thiazole.

Molecular Properties

Compound Nameethane;4-(4-ethylcyclohexyl)-5-methyl-1,3-thiazole
PubChem CID176552732
Molecular FormulaC14H25NS
Molecular Weight239.43 g/mol
Exact Mass239.17
IUPAC Nameethane;4-(4-ethylcyclohexyl)-5-methyl-1,3-thiazole
SMILESCC.CCC1CCC(c2ncsc2C)CC1
InChIInChI=1S/C12H19NS.C2H6/c1-3-10-4-6-11(7-5-10)12-9(2)14-8-13-12;1-2/h8,10-11H,3-7H2,1-2H3;1-2H3
InChIKeyXTUMRYZRZDVSMM-UHFFFAOYSA-N
XLogP5.16
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500239.43
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;ethylcyclopropane
CID 91380076
(4-ethylcyclohexyl)-(4-methyl-1,3-thiazol-5-yl)methanamine
CID 105155223
4-cyclopropyl-5-[(3,5-dimethylpiperazin-1-yl)methyl]-1,3-thiazole
CID 120840116
2-(4-ethylcyclohexyl)-5-fluoro-3-(trifluoromethyl)pyridine
CID 162069064
1-(4-ethylcyclohexyl)-4-(4-propylcyclohexyl)benzene
CID 20538372
azane;ethylcyclopropane
CID 20975579
4-cyclopropyl-2-(4-ethylcyclohexyl)pyrimidine-5-carboxylic acid
CID 65390332
N-(cyclobutylmethylsulfonyl)-4-cyclopropyl-1,3-thiazole-5-carboxamide
CID 84592421
2-(4-ethylcyclohexyl)-1,3-thiazole-4-carbaldehyde
CID 65393287
4-(4-ethylcyclohexyl)-1,3,5-triazin-2-amine
CID 65390155
2-ethyl-5-[4-(4-ethylcyclohexyl)phenyl]cyclohexan-1-ol
CID 139648649
1-[4-cyclopropyl-2-(4-ethylcyclohexyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114367070

Frequently Asked Questions

What is the IUPAC name of ethane;4-(4-ethylcyclohexyl)-5-methyl-1,3-thiazole?
The IUPAC name of ethane;4-(4-ethylcyclohexyl)-5-methyl-1,3-thiazole (CID 176552732) is ethane;4-(4-ethylcyclohexyl)-5-methyl-1,3-thiazole.
What is the SMILES notation for ethane;4-(4-ethylcyclohexyl)-5-methyl-1,3-thiazole?
The canonical SMILES for ethane;4-(4-ethylcyclohexyl)-5-methyl-1,3-thiazole is CC.CCC1CCC(c2ncsc2C)CC1.
What is the InChIKey of ethane;4-(4-ethylcyclohexyl)-5-methyl-1,3-thiazole?
The InChIKey is XTUMRYZRZDVSMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NS.C2H6/c1-3-10-4-6-11(7-5-10)12-9(2)14-8-13-12;1-2/h8,10-11H,3-7H2,1-2H3;1-2H3.
What are the key properties of ethane;4-(4-ethylcyclohexyl)-5-methyl-1,3-thiazole?
ethane;4-(4-ethylcyclohexyl)-5-methyl-1,3-thiazole has a molecular weight of 239.43 g/mol, XLogP of 5.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-(4-ethylcyclohexyl)-5-methyl-1,3-thiazole is sourced from PubChem (CID 176552732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).