2-methyl-4-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole;hydrochloride

C10H18ClN3O2S2 — CID 90485341

IUPAC2-methyl-4-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole;hydrochloride
SMILESCc1nc(CN2CCN(S(C)(=O)=O)CC2)cs1.Cl
InChIInChI=1S/C10H17N3O2S2.ClH/c1-9-11-10(8-16-9)7-12-3-5-13(6-4-12)17(2,14)15;/h8H,3-7H2,1-2H3;1H
InChIKeyQHLMFBHNNNRIQM-UHFFFAOYSA-N
MW311.86 g/mol
LogP0.95
Rot. Bonds3

About 2-methyl-4-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole;hydrochloride

2-methyl-4-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole;hydrochloride (PubChem CID 90485341) has the molecular formula C10H18ClN3O2S2 and a molecular weight of 311.86 g/mol. Its IUPAC name is 2-methyl-4-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole;hydrochloride.

Molecular Properties

Compound Name2-methyl-4-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole;hydrochloride
PubChem CID90485341
Molecular FormulaC10H18ClN3O2S2
Molecular Weight311.86 g/mol
Exact Mass311.05
IUPAC Name2-methyl-4-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole;hydrochloride
SMILESCc1nc(CN2CCN(S(C)(=O)=O)CC2)cs1.Cl
InChIInChI=1S/C10H17N3O2S2.ClH/c1-9-11-10(8-16-9)7-12-3-5-13(6-4-12)17(2,14)15;/h8H,3-7H2,1-2H3;1H
InChIKeyQHLMFBHNNNRIQM-UHFFFAOYSA-N
XLogP0.95
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.86
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-methyl-4-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-4-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazole
CID 18738458
ethane;2-methyl-4-(pyrrolidin-1-ylmethyl)-1,3-thiazole
CID 143966374
2-methyl-4-(piperazin-1-ylmethyl)-1,3-thiazole;dihydrochloride
CID 46735539
2-(4-methoxyphenyl)-4-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole
CID 39721537
2-methyl-4-[[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]-1,3-thiazole
CID 31841346
4-(chloromethyl)-2-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole
CID 62994658
2-cyclopentyl-4-[(4-methylsulfonyl-1,4-diazepan-1-yl)methyl]-1,3-thiazole
CID 165435501
2-methyl-4-[[4-[[(3S)-oxolan-3-yl]methylsulfonyl]piperazin-1-yl]methyl]-1,3-thiazole
CID 95317374
2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]acetic acid
CID 55119291
2-amino-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-1-one;hydrochloride
CID 119112229
1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-ol
CID 60643680
4-[[4-(5-bromo-2-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-2-methyl-1,3-thiazole
CID 31841340

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole;hydrochloride?
The IUPAC name of 2-methyl-4-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole;hydrochloride (CID 90485341) is 2-methyl-4-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole;hydrochloride.
What is the SMILES notation for 2-methyl-4-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole;hydrochloride?
The canonical SMILES for 2-methyl-4-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole;hydrochloride is Cc1nc(CN2CCN(S(C)(=O)=O)CC2)cs1.Cl.
What is the InChIKey of 2-methyl-4-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole;hydrochloride?
The InChIKey is QHLMFBHNNNRIQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S2.ClH/c1-9-11-10(8-16-9)7-12-3-5-13(6-4-12)17(2,14)15;/h8H,3-7H2,1-2H3;1H.
What are the key properties of 2-methyl-4-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole;hydrochloride?
2-methyl-4-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole;hydrochloride has a molecular weight of 311.86 g/mol, XLogP of 0.95, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole;hydrochloride is sourced from PubChem (CID 90485341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).