2-methyl-5-(4-methylcyclohexen-1-yl)-4-(4-methylcyclohexyl)-1,3-thiazolidine

C18H31NS — CID 142009824

IUPAC2-methyl-5-(4-methylcyclohexen-1-yl)-4-(4-methylcyclohexyl)-1,3-thiazolidine
SMILESCC1CC=C(C2SC(C)NC2C2CCC(C)CC2)CC1
InChIInChI=1S/C18H31NS/c1-12-4-8-15(9-5-12)17-18(20-14(3)19-17)16-10-6-13(2)7-11-16/h10,12-15,17-19H,4-9,11H2,1-3H3
InChIKeyKTCBTOUKGOTUFT-UHFFFAOYSA-N
MW293.52 g/mol
LogP4.98
Rot. Bonds2

About 2-methyl-5-(4-methylcyclohexen-1-yl)-4-(4-methylcyclohexyl)-1,3-thiazolidine

2-methyl-5-(4-methylcyclohexen-1-yl)-4-(4-methylcyclohexyl)-1,3-thiazolidine (PubChem CID 142009824) has the molecular formula C18H31NS and a molecular weight of 293.52 g/mol. Its IUPAC name is 2-methyl-5-(4-methylcyclohexen-1-yl)-4-(4-methylcyclohexyl)-1,3-thiazolidine.

Molecular Properties

Compound Name2-methyl-5-(4-methylcyclohexen-1-yl)-4-(4-methylcyclohexyl)-1,3-thiazolidine
PubChem CID142009824
Molecular FormulaC18H31NS
Molecular Weight293.52 g/mol
Exact Mass293.22
IUPAC Name2-methyl-5-(4-methylcyclohexen-1-yl)-4-(4-methylcyclohexyl)-1,3-thiazolidine
SMILESCC1CC=C(C2SC(C)NC2C2CCC(C)CC2)CC1
InChIInChI=1S/C18H31NS/c1-12-4-8-15(9-5-12)17-18(20-14(3)19-17)16-10-6-13(2)7-11-16/h10,12-15,17-19H,4-9,11H2,1-3H3
InChIKeyKTCBTOUKGOTUFT-UHFFFAOYSA-N
XLogP4.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.52
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-methyl-5-(4-methylcyclohexen-1-yl)-4-(4-methylcyclohexyl)-1,3-thiazolidine with MolForge

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Related Compounds

2-(2,6-Dimethylhept-5-en-1-yl)-1,3-thiazolidine
CID 3058776
6-Ethyl-2-methyl-2,3,3a,4,7,7a-hexahydro-1,3-benzothiazole
CID 89272406
2-[(E)-(3,5-dimethylcyclohex-2-en-1-ylidene)methyl]-3-ethyl-2,3,3a,4,5,6,7,7a-octahydro-1,3-benzothiazol-3-ium
CID 140625830
2,6-dimethyl-N-[(2-methyl-1,3-thiazolidin-5-yl)methyl]cyclohex-2-en-1-amine;ethane;propane
CID 143703564
N-[3-(3,5-dimethyl-6-methylsulfanylcyclohex-3-en-1-yl)propyl]pentan-2-amine
CID 146635349
2-Cyclohex-3-en-1-yl-4-methyl-1,3-thiazolidine
CID 66216932
2-Cyclohex-3-en-1-yl-4-ethyl-1,3-thiazolidine
CID 66231452
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-(thiolan-2-yl)methanamine
CID 103276913
1-(3,5-dimethylcyclohex-3-en-1-yl)-N-[(2-methylthiolan-2-yl)methyl]methanamine
CID 103276918
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-methylsulfanylpropan-2-amine
CID 103277083
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-4-methylsulfanylbutan-2-amine
CID 103277087
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-methylsulfanylbutan-2-amine
CID 103277110

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(4-methylcyclohexen-1-yl)-4-(4-methylcyclohexyl)-1,3-thiazolidine?
The IUPAC name of 2-methyl-5-(4-methylcyclohexen-1-yl)-4-(4-methylcyclohexyl)-1,3-thiazolidine (CID 142009824) is 2-methyl-5-(4-methylcyclohexen-1-yl)-4-(4-methylcyclohexyl)-1,3-thiazolidine.
What is the SMILES notation for 2-methyl-5-(4-methylcyclohexen-1-yl)-4-(4-methylcyclohexyl)-1,3-thiazolidine?
The canonical SMILES for 2-methyl-5-(4-methylcyclohexen-1-yl)-4-(4-methylcyclohexyl)-1,3-thiazolidine is CC1CC=C(C2SC(C)NC2C2CCC(C)CC2)CC1.
What is the InChIKey of 2-methyl-5-(4-methylcyclohexen-1-yl)-4-(4-methylcyclohexyl)-1,3-thiazolidine?
The InChIKey is KTCBTOUKGOTUFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NS/c1-12-4-8-15(9-5-12)17-18(20-14(3)19-17)16-10-6-13(2)7-11-16/h10,12-15,17-19H,4-9,11H2,1-3H3.
What are the key properties of 2-methyl-5-(4-methylcyclohexen-1-yl)-4-(4-methylcyclohexyl)-1,3-thiazolidine?
2-methyl-5-(4-methylcyclohexen-1-yl)-4-(4-methylcyclohexyl)-1,3-thiazolidine has a molecular weight of 293.52 g/mol, XLogP of 4.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(4-methylcyclohexen-1-yl)-4-(4-methylcyclohexyl)-1,3-thiazolidine is sourced from PubChem (CID 142009824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).