3-tert-butyl-4-propan-2-yl-1,3-thiazolidine

C10H21NS — CID 58403895

IUPAC3-tert-butyl-4-propan-2-yl-1,3-thiazolidine
SMILESCC(C)C1CSCN1C(C)(C)C
InChIInChI=1S/C10H21NS/c1-8(2)9-6-12-7-11(9)10(3,4)5/h8-9H,6-7H2,1-5H3
InChIKeyJZHKOUXMZCJDLW-UHFFFAOYSA-N
MW187.35 g/mol
LogP2.82
Rot. Bonds1

About 3-tert-butyl-4-propan-2-yl-1,3-thiazolidine

3-tert-butyl-4-propan-2-yl-1,3-thiazolidine (PubChem CID 58403895) has the molecular formula C10H21NS and a molecular weight of 187.35 g/mol. Its IUPAC name is 3-tert-butyl-4-propan-2-yl-1,3-thiazolidine.

Molecular Properties

Compound Name3-tert-butyl-4-propan-2-yl-1,3-thiazolidine
PubChem CID58403895
Molecular FormulaC10H21NS
Molecular Weight187.35 g/mol
Exact Mass187.14
IUPAC Name3-tert-butyl-4-propan-2-yl-1,3-thiazolidine
SMILESCC(C)C1CSCN1C(C)(C)C
InChIInChI=1S/C10H21NS/c1-8(2)9-6-12-7-11(9)10(3,4)5/h8-9H,6-7H2,1-5H3
InChIKeyJZHKOUXMZCJDLW-UHFFFAOYSA-N
XLogP2.82
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.35
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-Butan-2-yl-1,1-difluoro-4-propan-2-yl-1,3-thiazolidine
CID 169665405
3-Methyl-1-(3-methylsulfanylpropyl)pyrrolidine
CID 10397262
3-Butyl-2-(2-methylpropyl)-1,3-thiazolidine
CID 13356759
5,5-Dimethyl-3-(2-methylpropyl)-2-propan-2-yl-1,3-thiazolidine
CID 9877794
3-Butan-2-yl-5,5-dimethyl-1,3-thiazolidine
CID 18185947
3-Butan-2-yl-5,5-dimethyl-2-propan-2-yl-1,3-thiazolidine
CID 18185948
2,3,4-Trimethyl-2-(2-methylpropyl)-1,3-thiazolidine
CID 21644622
2,3-Ditert-butyl-1,3-thiazolidine
CID 57819714
3-Methyl-4-propan-2-yl-1,3-thiazolidine
CID 58074830
3,4-Di(propan-2-yl)-1,3-thiazolidine
CID 58778672
2,2-Dimethyl-3,4-di(propan-2-yl)-1,3-thiazolidine
CID 58778832
3,4-Ditert-butyl-5,5-dimethyl-1,3-thiazolidine
CID 59150834

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-4-propan-2-yl-1,3-thiazolidine?
The IUPAC name of 3-tert-butyl-4-propan-2-yl-1,3-thiazolidine (CID 58403895) is 3-tert-butyl-4-propan-2-yl-1,3-thiazolidine.
What is the SMILES notation for 3-tert-butyl-4-propan-2-yl-1,3-thiazolidine?
The canonical SMILES for 3-tert-butyl-4-propan-2-yl-1,3-thiazolidine is CC(C)C1CSCN1C(C)(C)C.
What is the InChIKey of 3-tert-butyl-4-propan-2-yl-1,3-thiazolidine?
The InChIKey is JZHKOUXMZCJDLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NS/c1-8(2)9-6-12-7-11(9)10(3,4)5/h8-9H,6-7H2,1-5H3.
What are the key properties of 3-tert-butyl-4-propan-2-yl-1,3-thiazolidine?
3-tert-butyl-4-propan-2-yl-1,3-thiazolidine has a molecular weight of 187.35 g/mol, XLogP of 2.82, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-4-propan-2-yl-1,3-thiazolidine is sourced from PubChem (CID 58403895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).