2-methyl-5-propan-2-yl-3-propyl-1,3-thiazolidine

C10H21NS — CID 167079471

IUPAC2-methyl-5-propan-2-yl-3-propyl-1,3-thiazolidine
SMILESCCCN1CC(C(C)C)SC1C
InChIInChI=1S/C10H21NS/c1-5-6-11-7-10(8(2)3)12-9(11)4/h8-10H,5-7H2,1-4H3
InChIKeyWMRPOVIINQGSJE-UHFFFAOYSA-N
MW187.35 g/mol
LogP2.82
Rot. Bonds3

About 2-methyl-5-propan-2-yl-3-propyl-1,3-thiazolidine

2-methyl-5-propan-2-yl-3-propyl-1,3-thiazolidine (PubChem CID 167079471) has the molecular formula C10H21NS and a molecular weight of 187.35 g/mol. Its IUPAC name is 2-methyl-5-propan-2-yl-3-propyl-1,3-thiazolidine.

Molecular Properties

Compound Name2-methyl-5-propan-2-yl-3-propyl-1,3-thiazolidine
PubChem CID167079471
Molecular FormulaC10H21NS
Molecular Weight187.35 g/mol
Exact Mass187.14
IUPAC Name2-methyl-5-propan-2-yl-3-propyl-1,3-thiazolidine
SMILESCCCN1CC(C(C)C)SC1C
InChIInChI=1S/C10H21NS/c1-5-6-11-7-10(8(2)3)12-9(11)4/h8-10H,5-7H2,1-4H3
InChIKeyWMRPOVIINQGSJE-UHFFFAOYSA-N
XLogP2.82
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-propan-2-yl-3-propyl-1,3-thiazolidine?
The IUPAC name of 2-methyl-5-propan-2-yl-3-propyl-1,3-thiazolidine (CID 167079471) is 2-methyl-5-propan-2-yl-3-propyl-1,3-thiazolidine.
What is the SMILES notation for 2-methyl-5-propan-2-yl-3-propyl-1,3-thiazolidine?
The canonical SMILES for 2-methyl-5-propan-2-yl-3-propyl-1,3-thiazolidine is CCCN1CC(C(C)C)SC1C.
What is the InChIKey of 2-methyl-5-propan-2-yl-3-propyl-1,3-thiazolidine?
The InChIKey is WMRPOVIINQGSJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NS/c1-5-6-11-7-10(8(2)3)12-9(11)4/h8-10H,5-7H2,1-4H3.
What are the key properties of 2-methyl-5-propan-2-yl-3-propyl-1,3-thiazolidine?
2-methyl-5-propan-2-yl-3-propyl-1,3-thiazolidine has a molecular weight of 187.35 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-propan-2-yl-3-propyl-1,3-thiazolidine is sourced from PubChem (CID 167079471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).