4-methyl-2-(4-methylcycloheptyl)-5-propan-2-yl-1,3-thiazolidine

C15H29NS — CID 134315723

IUPAC4-methyl-2-(4-methylcycloheptyl)-5-propan-2-yl-1,3-thiazolidine
SMILESCC1CCCC(C2NC(C)C(C(C)C)S2)CC1
InChIInChI=1S/C15H29NS/c1-10(2)14-12(4)16-15(17-14)13-7-5-6-11(3)8-9-13/h10-16H,5-9H2,1-4H3
InChIKeyBEBWHTKJCQJQGK-UHFFFAOYSA-N
MW255.47 g/mol
LogP4.28
Rot. Bonds2

About 4-methyl-2-(4-methylcycloheptyl)-5-propan-2-yl-1,3-thiazolidine

4-methyl-2-(4-methylcycloheptyl)-5-propan-2-yl-1,3-thiazolidine (PubChem CID 134315723) has the molecular formula C15H29NS and a molecular weight of 255.47 g/mol. Its IUPAC name is 4-methyl-2-(4-methylcycloheptyl)-5-propan-2-yl-1,3-thiazolidine.

Molecular Properties

Compound Name4-methyl-2-(4-methylcycloheptyl)-5-propan-2-yl-1,3-thiazolidine
PubChem CID134315723
Molecular FormulaC15H29NS
Molecular Weight255.47 g/mol
Exact Mass255.20
IUPAC Name4-methyl-2-(4-methylcycloheptyl)-5-propan-2-yl-1,3-thiazolidine
SMILESCC1CCCC(C2NC(C)C(C(C)C)S2)CC1
InChIInChI=1S/C15H29NS/c1-10(2)14-12(4)16-15(17-14)13-7-5-6-11(3)8-9-13/h10-16H,5-9H2,1-4H3
InChIKeyBEBWHTKJCQJQGK-UHFFFAOYSA-N
XLogP4.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.47
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Methyl-2-(3-methylbutyl)-1,3-thiazolidine
CID 3058780
2-Cyclohexyl-5-methyl-1,3-thiazolidine
CID 3087736
2,4-Dimethyl-5-[2-(2,2,2-trifluoroethyl)pentyl]-1,3-thiazolidine
CID 143806352
N-ethyl-5,5,5-trifluoro-1-(thiolan-3-yl)pentan-1-amine
CID 105174351
5,5,5-trifluoro-N-propyl-1-(thiolan-3-yl)pentan-1-amine
CID 113688933
2,2-Bis(2-methylpropyl)thiazolidine
CID 18954518
2,4,5-Trimethyl-2-(2-methylpropyl)-1,3-thiazolidine
CID 19987789
2,4-Dimethyl-2-(2-methylpropyl)-1,3-thiazolidine
CID 19987795
2-Cyclohexyl-4,4-dimethyl-1,3-thiazolidine
CID 53705476
(5R)-N-ethyl-5-(2-methylpropyl)thiolan-3-amine
CID 54471029
(4R)-4-methyl-2-[2-(1-methylcyclopentyl)ethyl]-1,3-thiazolidine
CID 59102563
[4-(4-Tert-butylsulfanylpyrrolidin-2-yl)cyclohexyl]methanamine
CID 59525171

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(4-methylcycloheptyl)-5-propan-2-yl-1,3-thiazolidine?
The IUPAC name of 4-methyl-2-(4-methylcycloheptyl)-5-propan-2-yl-1,3-thiazolidine (CID 134315723) is 4-methyl-2-(4-methylcycloheptyl)-5-propan-2-yl-1,3-thiazolidine.
What is the SMILES notation for 4-methyl-2-(4-methylcycloheptyl)-5-propan-2-yl-1,3-thiazolidine?
The canonical SMILES for 4-methyl-2-(4-methylcycloheptyl)-5-propan-2-yl-1,3-thiazolidine is CC1CCCC(C2NC(C)C(C(C)C)S2)CC1.
What is the InChIKey of 4-methyl-2-(4-methylcycloheptyl)-5-propan-2-yl-1,3-thiazolidine?
The InChIKey is BEBWHTKJCQJQGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NS/c1-10(2)14-12(4)16-15(17-14)13-7-5-6-11(3)8-9-13/h10-16H,5-9H2,1-4H3.
What are the key properties of 4-methyl-2-(4-methylcycloheptyl)-5-propan-2-yl-1,3-thiazolidine?
4-methyl-2-(4-methylcycloheptyl)-5-propan-2-yl-1,3-thiazolidine has a molecular weight of 255.47 g/mol, XLogP of 4.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(4-methylcycloheptyl)-5-propan-2-yl-1,3-thiazolidine is sourced from PubChem (CID 134315723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).