4,4-dimethyl-2-methylidene-3-propan-2-yl-1,3-thiazolidine

C9H17NS — CID 146654755

IUPAC4,4-dimethyl-2-methylidene-3-propan-2-yl-1,3-thiazolidine
SMILESC=C1SCC(C)(C)N1C(C)C
InChIInChI=1S/C9H17NS/c1-7(2)10-8(3)11-6-9(10,4)5/h7H,3,6H2,1-2,4-5H3
InChIKeyTXRWWVBIDUKGDR-UHFFFAOYSA-N
MW171.31 g/mol
LogP2.69
Rot. Bonds1

About 4,4-dimethyl-2-methylidene-3-propan-2-yl-1,3-thiazolidine

4,4-dimethyl-2-methylidene-3-propan-2-yl-1,3-thiazolidine (PubChem CID 146654755) has the molecular formula C9H17NS and a molecular weight of 171.31 g/mol. Its IUPAC name is 4,4-dimethyl-2-methylidene-3-propan-2-yl-1,3-thiazolidine.

Molecular Properties

Compound Name4,4-dimethyl-2-methylidene-3-propan-2-yl-1,3-thiazolidine
PubChem CID146654755
Molecular FormulaC9H17NS
Molecular Weight171.31 g/mol
Exact Mass171.11
IUPAC Name4,4-dimethyl-2-methylidene-3-propan-2-yl-1,3-thiazolidine
SMILESC=C1SCC(C)(C)N1C(C)C
InChIInChI=1S/C9H17NS/c1-7(2)10-8(3)11-6-9(10,4)5/h7H,3,6H2,1-2,4-5H3
InChIKeyTXRWWVBIDUKGDR-UHFFFAOYSA-N
XLogP2.69
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.31
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-methylidene-3-propan-2-yl-1,3-thiazolidine?
The IUPAC name of 4,4-dimethyl-2-methylidene-3-propan-2-yl-1,3-thiazolidine (CID 146654755) is 4,4-dimethyl-2-methylidene-3-propan-2-yl-1,3-thiazolidine.
What is the SMILES notation for 4,4-dimethyl-2-methylidene-3-propan-2-yl-1,3-thiazolidine?
The canonical SMILES for 4,4-dimethyl-2-methylidene-3-propan-2-yl-1,3-thiazolidine is C=C1SCC(C)(C)N1C(C)C.
What is the InChIKey of 4,4-dimethyl-2-methylidene-3-propan-2-yl-1,3-thiazolidine?
The InChIKey is TXRWWVBIDUKGDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NS/c1-7(2)10-8(3)11-6-9(10,4)5/h7H,3,6H2,1-2,4-5H3.
What are the key properties of 4,4-dimethyl-2-methylidene-3-propan-2-yl-1,3-thiazolidine?
4,4-dimethyl-2-methylidene-3-propan-2-yl-1,3-thiazolidine has a molecular weight of 171.31 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-methylidene-3-propan-2-yl-1,3-thiazolidine is sourced from PubChem (CID 146654755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).