3-butyl-2-propyl-1,3-thiazolidine

C10H21NS — CID 13356758

IUPAC3-butyl-2-propyl-1,3-thiazolidine
SMILESCCCCN1CCSC1CCC
InChIInChI=1S/C10H21NS/c1-3-5-7-11-8-9-12-10(11)6-4-2/h10H,3-9H2,1-2H3
InChIKeyPZUMSPKGTUODER-UHFFFAOYSA-N
MW187.35 g/mol
LogP2.96
Rot. Bonds5

About 3-butyl-2-propyl-1,3-thiazolidine

3-butyl-2-propyl-1,3-thiazolidine (PubChem CID 13356758) has the molecular formula C10H21NS and a molecular weight of 187.35 g/mol. Its IUPAC name is 3-butyl-2-propyl-1,3-thiazolidine.

Molecular Properties

Compound Name3-butyl-2-propyl-1,3-thiazolidine
PubChem CID13356758
Molecular FormulaC10H21NS
Molecular Weight187.35 g/mol
Exact Mass187.14
IUPAC Name3-butyl-2-propyl-1,3-thiazolidine
SMILESCCCCN1CCSC1CCC
InChIInChI=1S/C10H21NS/c1-3-5-7-11-8-9-12-10(11)6-4-2/h10H,3-9H2,1-2H3
InChIKeyPZUMSPKGTUODER-UHFFFAOYSA-N
XLogP2.96
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.35
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Thiazolidine, 3-(5-(pentylthio)pentyl)-, hydrochloride
CID 218549
Thiazolidine, 3-(3-(butylthio)propyl)-, hydrochloride
CID 3038842
Thiazolidine, 3-(3-(hexylthio)propyl)-, hydrochloride
CID 3038844
Thiazolidine, 3-(3-(heptylthio)propyl)-, hydrochloride
CID 3038846
Thiazolidine, 3-(4-(heptylthio)butyl)-, hydrochloride
CID 3038852
Thiazolidine, 3-(5-(propylthio)pentyl)-, hydrochloride
CID 3038854
Thiazolidine, 3-(5-(butylthio)pentyl)-, hydrochloride
CID 3038856
Thiazolidine, 3-(5-(hexylthio)pentyl)-, hydrochloride
CID 3038858
Thiazolidine, 3-(6-(ethylthio)hexyl)-, hydrochloride
CID 3038866
Thiazolidine, 3-(6-(propylthio)hexyl)-, hydrochloride
CID 3038868
Thiazolidine, 3-(6-(butylthio)hexyl)-, hydrochloride
CID 3038870
Thiazolidine, 3-(6-(pentylthio)hexyl)-, hydrochloride
CID 3038872

Frequently Asked Questions

What is the IUPAC name of 3-butyl-2-propyl-1,3-thiazolidine?
The IUPAC name of 3-butyl-2-propyl-1,3-thiazolidine (CID 13356758) is 3-butyl-2-propyl-1,3-thiazolidine.
What is the SMILES notation for 3-butyl-2-propyl-1,3-thiazolidine?
The canonical SMILES for 3-butyl-2-propyl-1,3-thiazolidine is CCCCN1CCSC1CCC.
What is the InChIKey of 3-butyl-2-propyl-1,3-thiazolidine?
The InChIKey is PZUMSPKGTUODER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NS/c1-3-5-7-11-8-9-12-10(11)6-4-2/h10H,3-9H2,1-2H3.
What are the key properties of 3-butyl-2-propyl-1,3-thiazolidine?
3-butyl-2-propyl-1,3-thiazolidine has a molecular weight of 187.35 g/mol, XLogP of 2.96, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-2-propyl-1,3-thiazolidine is sourced from PubChem (CID 13356758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).