4-methyl-2-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methylsulfanyl]-1,3-thiazole

C15H19N3O2S3 — CID 71800818

IUPAC4-methyl-2-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methylsulfanyl]-1,3-thiazole
SMILESCc1csc(SCC2CCN(S(=O)(=O)c3cccnc3)CC2)n1
InChIInChI=1S/C15H19N3O2S3/c1-12-10-21-15(17-12)22-11-13-4-7-18(8-5-13)23(19,20)14-3-2-6-16-9-14/h2-3,6,9-10,13H,4-5,7-8,11H2,1H3
InChIKeyYDFWLWJDHXTSBC-UHFFFAOYSA-N
MW369.54 g/mol
LogP3.04
Rot. Bonds5

About 4-methyl-2-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methylsulfanyl]-1,3-thiazole

4-methyl-2-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methylsulfanyl]-1,3-thiazole (PubChem CID 71800818) has the molecular formula C15H19N3O2S3 and a molecular weight of 369.54 g/mol. Its IUPAC name is 4-methyl-2-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methylsulfanyl]-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-2-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methylsulfanyl]-1,3-thiazole
PubChem CID71800818
Molecular FormulaC15H19N3O2S3
Molecular Weight369.54 g/mol
Exact Mass369.06
IUPAC Name4-methyl-2-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methylsulfanyl]-1,3-thiazole
SMILESCc1csc(SCC2CCN(S(=O)(=O)c3cccnc3)CC2)n1
InChIInChI=1S/C15H19N3O2S3/c1-12-10-21-15(17-12)22-11-13-4-7-18(8-5-13)23(19,20)14-3-2-6-16-9-14/h2-3,6,9-10,13H,4-5,7-8,11H2,1H3
InChIKeyYDFWLWJDHXTSBC-UHFFFAOYSA-N
XLogP3.04
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.54
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-methyl-2-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methylsulfanyl]-1,3-thiazole 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-[[1-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]methylsulfanyl]-4-methyl-1,3-thiazole
CID 71800826
2-[(1-cyclopropylsulfonylpiperidin-4-yl)methylsulfanyl]-4-methyl-1,3-thiazole
CID 71800825
3-[4-(bromomethyl)piperidin-1-yl]sulfonylpyridine
CID 80668698
3-(4-bromopiperidin-1-yl)sulfonylpyridine
CID 80672721
2-methyl-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]propan-2-amine
CID 63878235
3-[4-(imidazol-1-ylmethyl)piperidin-1-yl]sulfonylpyridine
CID 90493888
N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]propane-2-sulfonamide
CID 90521218
(3R)-1-pyridin-3-ylsulfonylpyrrolidin-3-amine;hydrochloride
CID 119962668
3-[(1-pyridin-3-ylsulfonylpyrrolidin-3-yl)methyl]pyridine
CID 166622070
4-methyl-2-(1-pyridin-3-ylsulfonylpyrrolidin-3-yl)pyrimidine
CID 110103731
2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 4881188
N-[1-(1-pyridin-3-ylsulfonylpiperidin-4-yl)ethyl]propan-1-amine
CID 63854203

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methylsulfanyl]-1,3-thiazole?
The IUPAC name of 4-methyl-2-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methylsulfanyl]-1,3-thiazole (CID 71800818) is 4-methyl-2-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methylsulfanyl]-1,3-thiazole.
What is the SMILES notation for 4-methyl-2-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methylsulfanyl]-1,3-thiazole?
The canonical SMILES for 4-methyl-2-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methylsulfanyl]-1,3-thiazole is Cc1csc(SCC2CCN(S(=O)(=O)c3cccnc3)CC2)n1.
What is the InChIKey of 4-methyl-2-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methylsulfanyl]-1,3-thiazole?
The InChIKey is YDFWLWJDHXTSBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S3/c1-12-10-21-15(17-12)22-11-13-4-7-18(8-5-13)23(19,20)14-3-2-6-16-9-14/h2-3,6,9-10,13H,4-5,7-8,11H2,1H3.
What are the key properties of 4-methyl-2-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methylsulfanyl]-1,3-thiazole?
4-methyl-2-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methylsulfanyl]-1,3-thiazole has a molecular weight of 369.54 g/mol, XLogP of 3.04, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methylsulfanyl]-1,3-thiazole is sourced from PubChem (CID 71800818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).