2-methyl-2-(3-methylbut-3-enyl)-1,3-thiazolidine

C9H17NS — CID 3058781

IUPAC2-methyl-2-(3-methylbut-3-enyl)-1,3-thiazolidine
SMILESC=C(C)CCC1(C)NCCS1
InChIInChI=1S/C9H17NS/c1-8(2)4-5-9(3)10-6-7-11-9/h10H,1,4-7H2,2-3H3
InChIKeyMIIKFNWDNMFFNV-UHFFFAOYSA-N
MW171.31 g/mol
LogP2.40
Rot. Bonds3

About 2-methyl-2-(3-methylbut-3-enyl)-1,3-thiazolidine

2-methyl-2-(3-methylbut-3-enyl)-1,3-thiazolidine (PubChem CID 3058781) has the molecular formula C9H17NS and a molecular weight of 171.31 g/mol. Its IUPAC name is 2-methyl-2-(3-methylbut-3-enyl)-1,3-thiazolidine.

Molecular Properties

Compound Name2-methyl-2-(3-methylbut-3-enyl)-1,3-thiazolidine
PubChem CID3058781
Molecular FormulaC9H17NS
Molecular Weight171.31 g/mol
Exact Mass171.11
IUPAC Name2-methyl-2-(3-methylbut-3-enyl)-1,3-thiazolidine
SMILESC=C(C)CCC1(C)NCCS1
InChIInChI=1S/C9H17NS/c1-8(2)4-5-9(3)10-6-7-11-9/h10H,1,4-7H2,2-3H3
InChIKeyMIIKFNWDNMFFNV-UHFFFAOYSA-N
XLogP2.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.31
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-methyl-2-(3-methylbut-3-enyl)-1,3-thiazolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Methyl-2-(4-methylpent-3-en-1-yl)-1,3-thiazolidine
CID 3040236
2-(2,6-Dimethylhept-5-en-1-yl)-1,3-thiazolidine
CID 3058776
2-Methyl-2-(pent-4-en-1-yl)-1,3-thiazolidine
CID 3058785
2-(3,4-Dimethylpent-3-en-1-yl)-2-methyl-1,3-thiazolidine
CID 3058790
2-(But-3-en-1-yl)-2-methyl-1,3-thiazolidine
CID 3058778
Thiazolidine, 2-methyl-2-(3,4-pentadienyl)-
CID 3058789
2-(Hex-5-en-1-yl)-2-methyl-1,3-thiazolidine
CID 3058791
Thiazolidine, 2-(4,5-hexadienyl)-2-methyl-
CID 3058793
2,2-Dimethyl-4-prop-1-en-2-yl-1,3-thiazolidine
CID 13948587
2-(2-Methylprop-2-enyl)-1,3-thiazolidine
CID 13901679
2-Methyl-2-(2-methylprop-2-enyl)-1,3-thiazolidine-4-carbonitrile
CID 21316413
N-ethyl-5-prop-2-enylthiolan-3-amine
CID 57017771

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(3-methylbut-3-enyl)-1,3-thiazolidine?
The IUPAC name of 2-methyl-2-(3-methylbut-3-enyl)-1,3-thiazolidine (CID 3058781) is 2-methyl-2-(3-methylbut-3-enyl)-1,3-thiazolidine.
What is the SMILES notation for 2-methyl-2-(3-methylbut-3-enyl)-1,3-thiazolidine?
The canonical SMILES for 2-methyl-2-(3-methylbut-3-enyl)-1,3-thiazolidine is C=C(C)CCC1(C)NCCS1.
What is the InChIKey of 2-methyl-2-(3-methylbut-3-enyl)-1,3-thiazolidine?
The InChIKey is MIIKFNWDNMFFNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NS/c1-8(2)4-5-9(3)10-6-7-11-9/h10H,1,4-7H2,2-3H3.
What are the key properties of 2-methyl-2-(3-methylbut-3-enyl)-1,3-thiazolidine?
2-methyl-2-(3-methylbut-3-enyl)-1,3-thiazolidine has a molecular weight of 171.31 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(3-methylbut-3-enyl)-1,3-thiazolidine is sourced from PubChem (CID 3058781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).