3,4,4-trimethyl-2-methylidene-1,3-thiazolidine

C7H13NS — CID 59165042

IUPAC3,4,4-trimethyl-2-methylidene-1,3-thiazolidine
SMILESC=C1SCC(C)(C)N1C
InChIInChI=1S/C7H13NS/c1-6-8(4)7(2,3)5-9-6/h1,5H2,2-4H3
InChIKeyDZZXDTBWCXDPOZ-UHFFFAOYSA-N
MW143.25 g/mol
LogP1.91
Rot. Bonds

About 3,4,4-trimethyl-2-methylidene-1,3-thiazolidine

3,4,4-trimethyl-2-methylidene-1,3-thiazolidine (PubChem CID 59165042) has the molecular formula C7H13NS and a molecular weight of 143.25 g/mol. Its IUPAC name is 3,4,4-trimethyl-2-methylidene-1,3-thiazolidine.

Molecular Properties

Compound Name3,4,4-trimethyl-2-methylidene-1,3-thiazolidine
PubChem CID59165042
Molecular FormulaC7H13NS
Molecular Weight143.25 g/mol
Exact Mass143.08
IUPAC Name3,4,4-trimethyl-2-methylidene-1,3-thiazolidine
SMILESC=C1SCC(C)(C)N1C
InChIInChI=1S/C7H13NS/c1-6-8(4)7(2,3)5-9-6/h1,5H2,2-4H3
InChIKeyDZZXDTBWCXDPOZ-UHFFFAOYSA-N
XLogP1.91
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.25
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4,4-trimethyl-2-methylidene-1,3-thiazolidine?
The IUPAC name of 3,4,4-trimethyl-2-methylidene-1,3-thiazolidine (CID 59165042) is 3,4,4-trimethyl-2-methylidene-1,3-thiazolidine.
What is the SMILES notation for 3,4,4-trimethyl-2-methylidene-1,3-thiazolidine?
The canonical SMILES for 3,4,4-trimethyl-2-methylidene-1,3-thiazolidine is C=C1SCC(C)(C)N1C.
What is the InChIKey of 3,4,4-trimethyl-2-methylidene-1,3-thiazolidine?
The InChIKey is DZZXDTBWCXDPOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NS/c1-6-8(4)7(2,3)5-9-6/h1,5H2,2-4H3.
What are the key properties of 3,4,4-trimethyl-2-methylidene-1,3-thiazolidine?
3,4,4-trimethyl-2-methylidene-1,3-thiazolidine has a molecular weight of 143.25 g/mol, XLogP of 1.91, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,4-trimethyl-2-methylidene-1,3-thiazolidine is sourced from PubChem (CID 59165042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).