4-methyl-2-(pyrrolidin-2-ylmethylsulfanyl)-1,3-thiazole;hydrochloride

C9H15ClN2S2 — CID 72716508

IUPAC4-methyl-2-(pyrrolidin-2-ylmethylsulfanyl)-1,3-thiazole;hydrochloride
SMILESCc1csc(SCC2CCCN2)n1.Cl
InChIInChI=1S/C9H14N2S2.ClH/c1-7-5-12-9(11-7)13-6-8-3-2-4-10-8;/h5,8,10H,2-4,6H2,1H3;1H
InChIKeyLAPGHBLGMBYRLK-UHFFFAOYSA-N
MW250.82 g/mol
LogP2.72
Rot. Bonds3

About 4-methyl-2-(pyrrolidin-2-ylmethylsulfanyl)-1,3-thiazole;hydrochloride

4-methyl-2-(pyrrolidin-2-ylmethylsulfanyl)-1,3-thiazole;hydrochloride (PubChem CID 72716508) has the molecular formula C9H15ClN2S2 and a molecular weight of 250.82 g/mol. Its IUPAC name is 4-methyl-2-(pyrrolidin-2-ylmethylsulfanyl)-1,3-thiazole;hydrochloride.

Molecular Properties

Compound Name4-methyl-2-(pyrrolidin-2-ylmethylsulfanyl)-1,3-thiazole;hydrochloride
PubChem CID72716508
Molecular FormulaC9H15ClN2S2
Molecular Weight250.82 g/mol
Exact Mass250.04
IUPAC Name4-methyl-2-(pyrrolidin-2-ylmethylsulfanyl)-1,3-thiazole;hydrochloride
SMILESCc1csc(SCC2CCCN2)n1.Cl
InChIInChI=1S/C9H14N2S2.ClH/c1-7-5-12-9(11-7)13-6-8-3-2-4-10-8;/h5,8,10H,2-4,6H2,1H3;1H
InChIKeyLAPGHBLGMBYRLK-UHFFFAOYSA-N
XLogP2.72
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.82
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119766849
2-[(4-methylphenyl)sulfanylmethyl]pyrrolidine;hydrochloride
CID 72716499
4-chloro-6-methyl-2-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]pyrimidine
CID 97163210
4-methyl-2-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]-1H-pyrimidin-6-one
CID 136789522
N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-pyrrolidin-2-ylpropan-2-amine
CID 79540321
4,5-dimethyl-2-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]-1,3-oxazole
CID 106924606
4-methyl-2-(2-methyl-3-piperidin-2-ylprop-1-enyl)-1,3-thiazole
CID 104855405
N-[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119887424
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 63239882
N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119759367
5-methyl-2-(pyrrolidin-2-ylmethylsulfanyl)pyridine
CID 71638847
N-[1-(4-methyl-1,3-thiazol-2-yl)cyclobutyl]-2-pyrrolidin-2-ylacetamide
CID 119874175

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(pyrrolidin-2-ylmethylsulfanyl)-1,3-thiazole;hydrochloride?
The IUPAC name of 4-methyl-2-(pyrrolidin-2-ylmethylsulfanyl)-1,3-thiazole;hydrochloride (CID 72716508) is 4-methyl-2-(pyrrolidin-2-ylmethylsulfanyl)-1,3-thiazole;hydrochloride.
What is the SMILES notation for 4-methyl-2-(pyrrolidin-2-ylmethylsulfanyl)-1,3-thiazole;hydrochloride?
The canonical SMILES for 4-methyl-2-(pyrrolidin-2-ylmethylsulfanyl)-1,3-thiazole;hydrochloride is Cc1csc(SCC2CCCN2)n1.Cl.
What is the InChIKey of 4-methyl-2-(pyrrolidin-2-ylmethylsulfanyl)-1,3-thiazole;hydrochloride?
The InChIKey is LAPGHBLGMBYRLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2S2.ClH/c1-7-5-12-9(11-7)13-6-8-3-2-4-10-8;/h5,8,10H,2-4,6H2,1H3;1H.
What are the key properties of 4-methyl-2-(pyrrolidin-2-ylmethylsulfanyl)-1,3-thiazole;hydrochloride?
4-methyl-2-(pyrrolidin-2-ylmethylsulfanyl)-1,3-thiazole;hydrochloride has a molecular weight of 250.82 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(pyrrolidin-2-ylmethylsulfanyl)-1,3-thiazole;hydrochloride is sourced from PubChem (CID 72716508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).