5-methyl-2-(3,4,4-trimethylpent-1-en-3-yl)-1,3-thiazolidine

C12H23NS — CID 14510648

IUPAC5-methyl-2-(3,4,4-trimethylpent-1-en-3-yl)-1,3-thiazolidine
SMILESC=CC(C)(C1NCC(C)S1)C(C)(C)C
InChIInChI=1S/C12H23NS/c1-7-12(6,11(3,4)5)10-13-8-9(2)14-10/h7,9-10,13H,1,8H2,2-6H3
InChIKeySBNVLWLLUYCLKA-UHFFFAOYSA-N
MW213.39 g/mol
LogP3.28
Rot. Bonds2

About 5-methyl-2-(3,4,4-trimethylpent-1-en-3-yl)-1,3-thiazolidine

5-methyl-2-(3,4,4-trimethylpent-1-en-3-yl)-1,3-thiazolidine (PubChem CID 14510648) has the molecular formula C12H23NS and a molecular weight of 213.39 g/mol. Its IUPAC name is 5-methyl-2-(3,4,4-trimethylpent-1-en-3-yl)-1,3-thiazolidine.

Molecular Properties

Compound Name5-methyl-2-(3,4,4-trimethylpent-1-en-3-yl)-1,3-thiazolidine
PubChem CID14510648
Molecular FormulaC12H23NS
Molecular Weight213.39 g/mol
Exact Mass213.16
IUPAC Name5-methyl-2-(3,4,4-trimethylpent-1-en-3-yl)-1,3-thiazolidine
SMILESC=CC(C)(C1NCC(C)S1)C(C)(C)C
InChIInChI=1S/C12H23NS/c1-7-12(6,11(3,4)5)10-13-8-9(2)14-10/h7,9-10,13H,1,8H2,2-6H3
InChIKeySBNVLWLLUYCLKA-UHFFFAOYSA-N
XLogP3.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.39
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Thiazolidine, 2-(1,1-dimethylallyl)-2-methyl-
CID 3058777
2-Pentyl-5,5-bis(prop-2-enyl)-1,3-thiazolidine
CID 69921126
2-Pent-1-en-3-yl-1,3-thiazolidine
CID 13901686
2-(2-Methylbut-3-en-2-yl)-1,3-thiazolidine
CID 13901691
5-Methyl-2-(2-methylbut-3-en-2-yl)-1,3-thiazolidine
CID 13901692
5-Ethyl-2-(2-methylbut-3-en-2-yl)-1,3-thiazolidine
CID 13901693
4-Ethyl-2-(2-methylbut-3-en-2-yl)-1,3-thiazolidine
CID 13901694
4,4-Dimethyl-2-(2-methylbut-3-en-2-yl)-1,3-thiazolidine
CID 13901695
2-(3-Methylpent-1-en-3-yl)-1,3-thiazolidine
CID 14510630
2-(3,4-Dimethylpent-1-en-3-yl)-1,3-thiazolidine
CID 14510633
4-Ethyl-2-(1,1,2-trimethyl-2-propen-1-yl)thiazolidine
CID 14510635
2-(3,4-Dimethylpent-1-en-3-yl)-4,4-dimethyl-1,3-thiazolidine
CID 14510641

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(3,4,4-trimethylpent-1-en-3-yl)-1,3-thiazolidine?
The IUPAC name of 5-methyl-2-(3,4,4-trimethylpent-1-en-3-yl)-1,3-thiazolidine (CID 14510648) is 5-methyl-2-(3,4,4-trimethylpent-1-en-3-yl)-1,3-thiazolidine.
What is the SMILES notation for 5-methyl-2-(3,4,4-trimethylpent-1-en-3-yl)-1,3-thiazolidine?
The canonical SMILES for 5-methyl-2-(3,4,4-trimethylpent-1-en-3-yl)-1,3-thiazolidine is C=CC(C)(C1NCC(C)S1)C(C)(C)C.
What is the InChIKey of 5-methyl-2-(3,4,4-trimethylpent-1-en-3-yl)-1,3-thiazolidine?
The InChIKey is SBNVLWLLUYCLKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NS/c1-7-12(6,11(3,4)5)10-13-8-9(2)14-10/h7,9-10,13H,1,8H2,2-6H3.
What are the key properties of 5-methyl-2-(3,4,4-trimethylpent-1-en-3-yl)-1,3-thiazolidine?
5-methyl-2-(3,4,4-trimethylpent-1-en-3-yl)-1,3-thiazolidine has a molecular weight of 213.39 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(3,4,4-trimethylpent-1-en-3-yl)-1,3-thiazolidine is sourced from PubChem (CID 14510648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).