3-methyl-4-propan-2-yl-1,3-thiazolidine

C7H15NS — CID 58074830

IUPAC3-methyl-4-propan-2-yl-1,3-thiazolidine
SMILESCC(C)C1CSCN1C
InChIInChI=1S/C7H15NS/c1-6(2)7-4-9-5-8(7)3/h6-7H,4-5H2,1-3H3
InChIKeyIZRSTZQIFBAXMU-UHFFFAOYSA-N
MW145.27 g/mol
LogP1.65
Rot. Bonds1

About 3-methyl-4-propan-2-yl-1,3-thiazolidine

3-methyl-4-propan-2-yl-1,3-thiazolidine (PubChem CID 58074830) has the molecular formula C7H15NS and a molecular weight of 145.27 g/mol. Its IUPAC name is 3-methyl-4-propan-2-yl-1,3-thiazolidine.

Molecular Properties

Compound Name3-methyl-4-propan-2-yl-1,3-thiazolidine
PubChem CID58074830
Molecular FormulaC7H15NS
Molecular Weight145.27 g/mol
Exact Mass145.09
IUPAC Name3-methyl-4-propan-2-yl-1,3-thiazolidine
SMILESCC(C)C1CSCN1C
InChIInChI=1S/C7H15NS/c1-6(2)7-4-9-5-8(7)3/h6-7H,4-5H2,1-3H3
InChIKeyIZRSTZQIFBAXMU-UHFFFAOYSA-N
XLogP1.65
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.27
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-propan-2-yl-1,3-thiazolidine?
The IUPAC name of 3-methyl-4-propan-2-yl-1,3-thiazolidine (CID 58074830) is 3-methyl-4-propan-2-yl-1,3-thiazolidine.
What is the SMILES notation for 3-methyl-4-propan-2-yl-1,3-thiazolidine?
The canonical SMILES for 3-methyl-4-propan-2-yl-1,3-thiazolidine is CC(C)C1CSCN1C.
What is the InChIKey of 3-methyl-4-propan-2-yl-1,3-thiazolidine?
The InChIKey is IZRSTZQIFBAXMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NS/c1-6(2)7-4-9-5-8(7)3/h6-7H,4-5H2,1-3H3.
What are the key properties of 3-methyl-4-propan-2-yl-1,3-thiazolidine?
3-methyl-4-propan-2-yl-1,3-thiazolidine has a molecular weight of 145.27 g/mol, XLogP of 1.65, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-propan-2-yl-1,3-thiazolidine is sourced from PubChem (CID 58074830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).