2-but-3-en-2-yl-2-propan-2-yl-1,3-thiazolidine

C10H19NS — CID 15922051

IUPAC2-but-3-en-2-yl-2-propan-2-yl-1,3-thiazolidine
SMILESC=CC(C)C1(C(C)C)NCCS1
InChIInChI=1S/C10H19NS/c1-5-9(4)10(8(2)3)11-6-7-12-10/h5,8-9,11H,1,6-7H2,2-4H3
InChIKeyULWPCRREGKZBAI-UHFFFAOYSA-N
MW185.34 g/mol
LogP2.50
Rot. Bonds3

About 2-but-3-en-2-yl-2-propan-2-yl-1,3-thiazolidine

2-but-3-en-2-yl-2-propan-2-yl-1,3-thiazolidine (PubChem CID 15922051) has the molecular formula C10H19NS and a molecular weight of 185.34 g/mol. Its IUPAC name is 2-but-3-en-2-yl-2-propan-2-yl-1,3-thiazolidine.

Molecular Properties

Compound Name2-but-3-en-2-yl-2-propan-2-yl-1,3-thiazolidine
PubChem CID15922051
Molecular FormulaC10H19NS
Molecular Weight185.34 g/mol
Exact Mass185.12
IUPAC Name2-but-3-en-2-yl-2-propan-2-yl-1,3-thiazolidine
SMILESC=CC(C)C1(C(C)C)NCCS1
InChIInChI=1S/C10H19NS/c1-5-9(4)10(8(2)3)11-6-7-12-10/h5,8-9,11H,1,6-7H2,2-4H3
InChIKeyULWPCRREGKZBAI-UHFFFAOYSA-N
XLogP2.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.34
LogP ≤ 52.50
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-Methyl-2-(pent-4-en-1-yl)-1,3-thiazolidine
CID 3058785
Thiazolidine, 2-(3-heptenyl)-2-methyl-, (E)-
CID 6447468
Thiazolidine, 2-(3,6-heptadienyl)-2-methyl-, (E)-
CID 6447469
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-methyl-2-(3-pentenyl)-, (E)-
CID 6447466
2-((Z)-2-heptenyl)thiazolidine
CID 5352327
2-methyl-N-[(2-methyl-3H-thiophen-2-yl)methyl]propan-1-amine
CID 57186297
2-Pentyl-5,5-bis(prop-2-enyl)-1,3-thiazolidine
CID 69921126
2,2-Bis(prop-2-enyl)-1,3-thiazolidine
CID 70163327

Frequently Asked Questions

What is the IUPAC name of 2-but-3-en-2-yl-2-propan-2-yl-1,3-thiazolidine?
The IUPAC name of 2-but-3-en-2-yl-2-propan-2-yl-1,3-thiazolidine (CID 15922051) is 2-but-3-en-2-yl-2-propan-2-yl-1,3-thiazolidine.
What is the SMILES notation for 2-but-3-en-2-yl-2-propan-2-yl-1,3-thiazolidine?
The canonical SMILES for 2-but-3-en-2-yl-2-propan-2-yl-1,3-thiazolidine is C=CC(C)C1(C(C)C)NCCS1.
What is the InChIKey of 2-but-3-en-2-yl-2-propan-2-yl-1,3-thiazolidine?
The InChIKey is ULWPCRREGKZBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NS/c1-5-9(4)10(8(2)3)11-6-7-12-10/h5,8-9,11H,1,6-7H2,2-4H3.
What are the key properties of 2-but-3-en-2-yl-2-propan-2-yl-1,3-thiazolidine?
2-but-3-en-2-yl-2-propan-2-yl-1,3-thiazolidine has a molecular weight of 185.34 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-en-2-yl-2-propan-2-yl-1,3-thiazolidine is sourced from PubChem (CID 15922051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).