2-(3-methylsulfanylpiperidin-1-yl)-4,5-dihydro-1,3-thiazole

C9H16N2S2 — CID 163412747

IUPAC2-(3-methylsulfanylpiperidin-1-yl)-4,5-dihydro-1,3-thiazole
SMILESCSC1CCCN(C2=NCCS2)C1
InChIInChI=1S/C9H16N2S2/c1-12-8-3-2-5-11(7-8)9-10-4-6-13-9/h8H,2-7H2,1H3
InChIKeyABUXVEUYILRWSL-UHFFFAOYSA-N
MW216.37 g/mol
LogP1.92
Rot. Bonds1

About 2-(3-methylsulfanylpiperidin-1-yl)-4,5-dihydro-1,3-thiazole

2-(3-methylsulfanylpiperidin-1-yl)-4,5-dihydro-1,3-thiazole (PubChem CID 163412747) has the molecular formula C9H16N2S2 and a molecular weight of 216.37 g/mol. Its IUPAC name is 2-(3-methylsulfanylpiperidin-1-yl)-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name2-(3-methylsulfanylpiperidin-1-yl)-4,5-dihydro-1,3-thiazole
PubChem CID163412747
Molecular FormulaC9H16N2S2
Molecular Weight216.37 g/mol
Exact Mass216.08
IUPAC Name2-(3-methylsulfanylpiperidin-1-yl)-4,5-dihydro-1,3-thiazole
SMILESCSC1CCCN(C2=NCCS2)C1
InChIInChI=1S/C9H16N2S2/c1-12-8-3-2-5-11(7-8)9-10-4-6-13-9/h8H,2-7H2,1H3
InChIKeyABUXVEUYILRWSL-UHFFFAOYSA-N
XLogP1.92
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R)-1-(4,5-dihydro-1,3-thiazol-2-yl)piperidin-3-yl]methanamine
CID 129493284
2-[(3R)-3-ethoxypyrrolidin-1-yl]-4,5-dihydro-1,3-thiazole
CID 142277547
1-(4,5-dihydro-1,3-thiazol-2-yl)azetidine-3-thiol;hydrochloride
CID 11974883
2-(1,4-diazepan-1-yl)-4,5-dihydro-1,3-thiazole
CID 112708516
(3S)-3-methylsulfanyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]azepane
CID 124590786
4-(3-methylsulfanylazepan-1-yl)-1H-pyrazolo[5,4-d]pyrimidine
CID 133395111
5-(3-methylsulfanylazepan-1-yl)pyridine-2-carbonitrile
CID 133395003
4-chloro-6-(3-methylsulfanylazepan-1-yl)pyrimidin-2-amine
CID 133395200
6-methyl-4-(3-methylsulfanylazepan-1-yl)quinazoline
CID 133395119
2-(3-tert-butylazetidin-1-yl)-5,6-dihydro-4H-1,3-thiazine
CID 177262349
2-(3-methylsulfanylazepan-1-yl)-2-oxoacetic acid
CID 130639167
1-(6-tert-butylsulfonyl-3-pyridinyl)-3-methylsulfanylazepane
CID 102560377

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylsulfanylpiperidin-1-yl)-4,5-dihydro-1,3-thiazole?
The IUPAC name of 2-(3-methylsulfanylpiperidin-1-yl)-4,5-dihydro-1,3-thiazole (CID 163412747) is 2-(3-methylsulfanylpiperidin-1-yl)-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for 2-(3-methylsulfanylpiperidin-1-yl)-4,5-dihydro-1,3-thiazole?
The canonical SMILES for 2-(3-methylsulfanylpiperidin-1-yl)-4,5-dihydro-1,3-thiazole is CSC1CCCN(C2=NCCS2)C1.
What is the InChIKey of 2-(3-methylsulfanylpiperidin-1-yl)-4,5-dihydro-1,3-thiazole?
The InChIKey is ABUXVEUYILRWSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2S2/c1-12-8-3-2-5-11(7-8)9-10-4-6-13-9/h8H,2-7H2,1H3.
What are the key properties of 2-(3-methylsulfanylpiperidin-1-yl)-4,5-dihydro-1,3-thiazole?
2-(3-methylsulfanylpiperidin-1-yl)-4,5-dihydro-1,3-thiazole has a molecular weight of 216.37 g/mol, XLogP of 1.92, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylsulfanylpiperidin-1-yl)-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 163412747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).