3-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)sulfanylmethyl]-1,3-thiazolidine

C9H17N3S2 — CID 175466821

IUPAC3-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)sulfanylmethyl]-1,3-thiazolidine
SMILESCC1(C)CN=C(SCN2CCSC2)N1
InChIInChI=1S/C9H17N3S2/c1-9(2)5-10-8(11-9)14-7-12-3-4-13-6-12/h3-7H2,1-2H3,(H,10,11)
InChIKeyOFIWQXBRPARBPI-UHFFFAOYSA-N
MW231.39 g/mol
LogP1.42
Rot. Bonds2

About 3-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)sulfanylmethyl]-1,3-thiazolidine

3-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)sulfanylmethyl]-1,3-thiazolidine (PubChem CID 175466821) has the molecular formula C9H17N3S2 and a molecular weight of 231.39 g/mol. Its IUPAC name is 3-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)sulfanylmethyl]-1,3-thiazolidine.

Molecular Properties

Compound Name3-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)sulfanylmethyl]-1,3-thiazolidine
PubChem CID175466821
Molecular FormulaC9H17N3S2
Molecular Weight231.39 g/mol
Exact Mass231.09
IUPAC Name3-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)sulfanylmethyl]-1,3-thiazolidine
SMILESCC1(C)CN=C(SCN2CCSC2)N1
InChIInChI=1S/C9H17N3S2/c1-9(2)5-10-8(11-9)14-7-12-3-4-13-6-12/h3-7H2,1-2H3,(H,10,11)
InChIKeyOFIWQXBRPARBPI-UHFFFAOYSA-N
XLogP1.42
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.39
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)sulfanyl]-6,6-dimethyl-3,5-dihydro-2H-imidazo[2,1-b][1,3]thiazole
CID 155166506
3-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)sulfanyl]-6,6-dimethyl-3,5-dihydro-2H-imidazo[2,1-b][1,3]thiazole;dihydrochloride
CID 155167124
5-(4-Pyrrolidin-1-ylbutylsulfanyl)-4,6-diazaspiro[2.4]hept-5-ene
CID 169004866
5,5-Dimethyl-2-(4-pyrrolidin-1-ylbutylsulfanyl)-1,4-dihydroimidazole
CID 169005139
5,5-Dimethyl-2-(4-pyrrolidin-1-ylbutylsulfanyl)-1,4-dihydroimidazole;dihydrochloride
CID 169005253
5-(2-Pyrrolidin-1-ylethylsulfanyl)-4,6-diazaspiro[2.4]hept-5-ene
CID 169005315
3-[2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethyl]-N-methyl-1,3-thiazolidin-2-imine
CID 4135361
N-(1-pyrrolidin-1-ylpropan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 61477605
5-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 61477681
1-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 61659292
2-N,2-N,2-trimethyl-1-N-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)propane-1,2-diamine
CID 61659342
5-methyl-N-(2-pyrrolidin-1-ylethyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 62641109

Frequently Asked Questions

What is the IUPAC name of 3-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)sulfanylmethyl]-1,3-thiazolidine?
The IUPAC name of 3-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)sulfanylmethyl]-1,3-thiazolidine (CID 175466821) is 3-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)sulfanylmethyl]-1,3-thiazolidine.
What is the SMILES notation for 3-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)sulfanylmethyl]-1,3-thiazolidine?
The canonical SMILES for 3-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)sulfanylmethyl]-1,3-thiazolidine is CC1(C)CN=C(SCN2CCSC2)N1.
What is the InChIKey of 3-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)sulfanylmethyl]-1,3-thiazolidine?
The InChIKey is OFIWQXBRPARBPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3S2/c1-9(2)5-10-8(11-9)14-7-12-3-4-13-6-12/h3-7H2,1-2H3,(H,10,11).
What are the key properties of 3-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)sulfanylmethyl]-1,3-thiazolidine?
3-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)sulfanylmethyl]-1,3-thiazolidine has a molecular weight of 231.39 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)sulfanylmethyl]-1,3-thiazolidine is sourced from PubChem (CID 175466821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).