2-ethyl-5,5-dimethyl-3-prop-1-en-2-yl-1,3-thiazolidine

C10H19NS — CID 167116826

IUPAC2-ethyl-5,5-dimethyl-3-prop-1-en-2-yl-1,3-thiazolidine
SMILESC=C(C)N1CC(C)(C)SC1CC
InChIInChI=1S/C10H19NS/c1-6-9-11(8(2)3)7-10(4,5)12-9/h9H,2,6-7H2,1,3-5H3
InChIKeyKVQVZUMXLUFCRD-UHFFFAOYSA-N
MW185.34 g/mol
LogP3.08
Rot. Bonds2

About 2-ethyl-5,5-dimethyl-3-prop-1-en-2-yl-1,3-thiazolidine

2-ethyl-5,5-dimethyl-3-prop-1-en-2-yl-1,3-thiazolidine (PubChem CID 167116826) has the molecular formula C10H19NS and a molecular weight of 185.34 g/mol. Its IUPAC name is 2-ethyl-5,5-dimethyl-3-prop-1-en-2-yl-1,3-thiazolidine.

Molecular Properties

Compound Name2-ethyl-5,5-dimethyl-3-prop-1-en-2-yl-1,3-thiazolidine
PubChem CID167116826
Molecular FormulaC10H19NS
Molecular Weight185.34 g/mol
Exact Mass185.12
IUPAC Name2-ethyl-5,5-dimethyl-3-prop-1-en-2-yl-1,3-thiazolidine
SMILESC=C(C)N1CC(C)(C)SC1CC
InChIInChI=1S/C10H19NS/c1-6-9-11(8(2)3)7-10(4,5)12-9/h9H,2,6-7H2,1,3-5H3
InChIKeyKVQVZUMXLUFCRD-UHFFFAOYSA-N
XLogP3.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.34
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5,5-dimethyl-3-prop-1-en-2-yl-1,3-thiazolidine?
The IUPAC name of 2-ethyl-5,5-dimethyl-3-prop-1-en-2-yl-1,3-thiazolidine (CID 167116826) is 2-ethyl-5,5-dimethyl-3-prop-1-en-2-yl-1,3-thiazolidine.
What is the SMILES notation for 2-ethyl-5,5-dimethyl-3-prop-1-en-2-yl-1,3-thiazolidine?
The canonical SMILES for 2-ethyl-5,5-dimethyl-3-prop-1-en-2-yl-1,3-thiazolidine is C=C(C)N1CC(C)(C)SC1CC.
What is the InChIKey of 2-ethyl-5,5-dimethyl-3-prop-1-en-2-yl-1,3-thiazolidine?
The InChIKey is KVQVZUMXLUFCRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NS/c1-6-9-11(8(2)3)7-10(4,5)12-9/h9H,2,6-7H2,1,3-5H3.
What are the key properties of 2-ethyl-5,5-dimethyl-3-prop-1-en-2-yl-1,3-thiazolidine?
2-ethyl-5,5-dimethyl-3-prop-1-en-2-yl-1,3-thiazolidine has a molecular weight of 185.34 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5,5-dimethyl-3-prop-1-en-2-yl-1,3-thiazolidine is sourced from PubChem (CID 167116826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).