(2Z)-2-(2,2-dimethylpropylidene)-3-methyl-1,3-thiazolidine

C9H17NS — CID 59652079

IUPAC(2Z)-2-(2,2-dimethylpropylidene)-3-methyl-1,3-thiazolidine
SMILESCN1CCS/C1=C\C(C)(C)C
InChIInChI=1S/C9H17NS/c1-9(2,3)7-8-10(4)5-6-11-8/h7H,5-6H2,1-4H3/b8-7-
InChIKeyWCUCMYMNYWDQBK-FPLPWBNLSA-N
MW171.31 g/mol
LogP2.55
Rot. Bonds

About (2Z)-2-(2,2-dimethylpropylidene)-3-methyl-1,3-thiazolidine

(2Z)-2-(2,2-dimethylpropylidene)-3-methyl-1,3-thiazolidine (PubChem CID 59652079) has the molecular formula C9H17NS and a molecular weight of 171.31 g/mol. Its IUPAC name is (2Z)-2-(2,2-dimethylpropylidene)-3-methyl-1,3-thiazolidine.

Molecular Properties

Compound Name(2Z)-2-(2,2-dimethylpropylidene)-3-methyl-1,3-thiazolidine
PubChem CID59652079
Molecular FormulaC9H17NS
Molecular Weight171.31 g/mol
Exact Mass171.11
IUPAC Name(2Z)-2-(2,2-dimethylpropylidene)-3-methyl-1,3-thiazolidine
SMILESCN1CCS/C1=C\C(C)(C)C
InChIInChI=1S/C9H17NS/c1-9(2,3)7-8-10(4)5-6-11-8/h7H,5-6H2,1-4H3/b8-7-
InChIKeyWCUCMYMNYWDQBK-FPLPWBNLSA-N
XLogP2.55
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.31
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(2,2-dimethylpropylidene)-3-methyl-1,3-thiazolidine?
The IUPAC name of (2Z)-2-(2,2-dimethylpropylidene)-3-methyl-1,3-thiazolidine (CID 59652079) is (2Z)-2-(2,2-dimethylpropylidene)-3-methyl-1,3-thiazolidine.
What is the SMILES notation for (2Z)-2-(2,2-dimethylpropylidene)-3-methyl-1,3-thiazolidine?
The canonical SMILES for (2Z)-2-(2,2-dimethylpropylidene)-3-methyl-1,3-thiazolidine is CN1CCS/C1=C\C(C)(C)C.
What is the InChIKey of (2Z)-2-(2,2-dimethylpropylidene)-3-methyl-1,3-thiazolidine?
The InChIKey is WCUCMYMNYWDQBK-FPLPWBNLSA-N. The full InChI is InChI=1S/C9H17NS/c1-9(2,3)7-8-10(4)5-6-11-8/h7H,5-6H2,1-4H3/b8-7-.
What are the key properties of (2Z)-2-(2,2-dimethylpropylidene)-3-methyl-1,3-thiazolidine?
(2Z)-2-(2,2-dimethylpropylidene)-3-methyl-1,3-thiazolidine has a molecular weight of 171.31 g/mol, XLogP of 2.55, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(2,2-dimethylpropylidene)-3-methyl-1,3-thiazolidine is sourced from PubChem (CID 59652079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).