2-methyl-4-methylidene-5-propan-2-yl-1,3-thiazolidine

C8H15NS — CID 139504086

IUPAC2-methyl-4-methylidene-5-propan-2-yl-1,3-thiazolidine
SMILESC=C1NC(C)SC1C(C)C
InChIInChI=1S/C8H15NS/c1-5(2)8-6(3)9-7(4)10-8/h5,7-9H,3H2,1-2,4H3
InChIKeyJQKHFBYQDOJVCR-UHFFFAOYSA-N
MW157.28 g/mol
LogP2.21
Rot. Bonds1

About 2-methyl-4-methylidene-5-propan-2-yl-1,3-thiazolidine

2-methyl-4-methylidene-5-propan-2-yl-1,3-thiazolidine (PubChem CID 139504086) has the molecular formula C8H15NS and a molecular weight of 157.28 g/mol. Its IUPAC name is 2-methyl-4-methylidene-5-propan-2-yl-1,3-thiazolidine.

Molecular Properties

Compound Name2-methyl-4-methylidene-5-propan-2-yl-1,3-thiazolidine
PubChem CID139504086
Molecular FormulaC8H15NS
Molecular Weight157.28 g/mol
Exact Mass157.09
IUPAC Name2-methyl-4-methylidene-5-propan-2-yl-1,3-thiazolidine
SMILESC=C1NC(C)SC1C(C)C
InChIInChI=1S/C8H15NS/c1-5(2)8-6(3)9-7(4)10-8/h5,7-9H,3H2,1-2,4H3
InChIKeyJQKHFBYQDOJVCR-UHFFFAOYSA-N
XLogP2.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.28
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-methylidene-5-propan-2-yl-1,3-thiazolidine?
The IUPAC name of 2-methyl-4-methylidene-5-propan-2-yl-1,3-thiazolidine (CID 139504086) is 2-methyl-4-methylidene-5-propan-2-yl-1,3-thiazolidine.
What is the SMILES notation for 2-methyl-4-methylidene-5-propan-2-yl-1,3-thiazolidine?
The canonical SMILES for 2-methyl-4-methylidene-5-propan-2-yl-1,3-thiazolidine is C=C1NC(C)SC1C(C)C.
What is the InChIKey of 2-methyl-4-methylidene-5-propan-2-yl-1,3-thiazolidine?
The InChIKey is JQKHFBYQDOJVCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NS/c1-5(2)8-6(3)9-7(4)10-8/h5,7-9H,3H2,1-2,4H3.
What are the key properties of 2-methyl-4-methylidene-5-propan-2-yl-1,3-thiazolidine?
2-methyl-4-methylidene-5-propan-2-yl-1,3-thiazolidine has a molecular weight of 157.28 g/mol, XLogP of 2.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-methylidene-5-propan-2-yl-1,3-thiazolidine is sourced from PubChem (CID 139504086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).