2-but-3-ynyl-2-methyl-1,3-thiazolidine

C8H13NS — CID 3058779

IUPAC2-but-3-ynyl-2-methyl-1,3-thiazolidine
SMILESC#CCCC1(C)NCCS1
InChIInChI=1S/C8H13NS/c1-3-4-5-8(2)9-6-7-10-8/h1,9H,4-7H2,2H3
InChIKeyFXRNBPCZRLQJDN-UHFFFAOYSA-N
MW155.27 g/mol
LogP1.45
Rot. Bonds2

About 2-but-3-ynyl-2-methyl-1,3-thiazolidine

2-but-3-ynyl-2-methyl-1,3-thiazolidine (PubChem CID 3058779) has the molecular formula C8H13NS and a molecular weight of 155.27 g/mol. Its IUPAC name is 2-but-3-ynyl-2-methyl-1,3-thiazolidine.

Molecular Properties

Compound Name2-but-3-ynyl-2-methyl-1,3-thiazolidine
PubChem CID3058779
Molecular FormulaC8H13NS
Molecular Weight155.27 g/mol
Exact Mass155.08
IUPAC Name2-but-3-ynyl-2-methyl-1,3-thiazolidine
SMILESC#CCCC1(C)NCCS1
InChIInChI=1S/C8H13NS/c1-3-4-5-8(2)9-6-7-10-8/h1,9H,4-7H2,2H3
InChIKeyFXRNBPCZRLQJDN-UHFFFAOYSA-N
XLogP1.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.27
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Butyl-2-methyl-1,3-thiazolidine
CID 120766
2,2-Diethylthiazolidine
CID 69837
Thiazolidine, 2,2-dipropyl-
CID 204659
Thiazolidine, 2-(3-pentynyl)-
CID 3058774
Thiazolidine, 2-(3-butynyl)-
CID 3058775
2-Methyl-2-(pent-4-yn-1-yl)-1,3-thiazolidine
CID 3058786
2-Methyl-2-(pent-3-yn-1-yl)-1,3-thiazolidine
CID 3058788
Thiazolidine, 2-(5-hexynyl)-2-methyl-
CID 3058792
2-Methyl-2-propylthiazolidine
CID 13763539
2-(3-Triethylgermyl-2-propynyl)-1,3-thiazolidine
CID 129794453
2-Ethyl-2-propylthiazolidine
CID 85825856
5-Ethyl-2,2-dimethyl-1,3-thiazolidine
CID 19987793

Frequently Asked Questions

What is the IUPAC name of 2-but-3-ynyl-2-methyl-1,3-thiazolidine?
The IUPAC name of 2-but-3-ynyl-2-methyl-1,3-thiazolidine (CID 3058779) is 2-but-3-ynyl-2-methyl-1,3-thiazolidine.
What is the SMILES notation for 2-but-3-ynyl-2-methyl-1,3-thiazolidine?
The canonical SMILES for 2-but-3-ynyl-2-methyl-1,3-thiazolidine is C#CCCC1(C)NCCS1.
What is the InChIKey of 2-but-3-ynyl-2-methyl-1,3-thiazolidine?
The InChIKey is FXRNBPCZRLQJDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NS/c1-3-4-5-8(2)9-6-7-10-8/h1,9H,4-7H2,2H3.
What are the key properties of 2-but-3-ynyl-2-methyl-1,3-thiazolidine?
2-but-3-ynyl-2-methyl-1,3-thiazolidine has a molecular weight of 155.27 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-ynyl-2-methyl-1,3-thiazolidine is sourced from PubChem (CID 3058779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).