4,5-dimethyl-2-[6-[(3S)-1-methylsulfonylpiperidin-3-yl]-3-pyridinyl]-1,3-thiazole

C16H21N3O2S2 — CID 124998697

IUPAC4,5-dimethyl-2-[6-[(3S)-1-methylsulfonylpiperidin-3-yl]-3-pyridinyl]-1,3-thiazole
SMILESCc1nc(-c2ccc([C@H]3CCCN(S(C)(=O)=O)C3)nc2)sc1C
InChIInChI=1S/C16H21N3O2S2/c1-11-12(2)22-16(18-11)13-6-7-15(17-9-13)14-5-4-8-19(10-14)23(3,20)21/h6-7,9,14H,4-5,8,10H2,1-3H3/t14-/m0/s1
InChIKeyRJMWCDSRESFARU-AWEZNQCLSA-N
MW351.50 g/mol
LogP2.96
Rot. Bonds3

About 4,5-dimethyl-2-[6-[(3S)-1-methylsulfonylpiperidin-3-yl]-3-pyridinyl]-1,3-thiazole

4,5-dimethyl-2-[6-[(3S)-1-methylsulfonylpiperidin-3-yl]-3-pyridinyl]-1,3-thiazole (PubChem CID 124998697) has the molecular formula C16H21N3O2S2 and a molecular weight of 351.50 g/mol. Its IUPAC name is 4,5-dimethyl-2-[6-[(3S)-1-methylsulfonylpiperidin-3-yl]-3-pyridinyl]-1,3-thiazole.

Molecular Properties

Compound Name4,5-dimethyl-2-[6-[(3S)-1-methylsulfonylpiperidin-3-yl]-3-pyridinyl]-1,3-thiazole
PubChem CID124998697
Molecular FormulaC16H21N3O2S2
Molecular Weight351.50 g/mol
Exact Mass351.11
IUPAC Name4,5-dimethyl-2-[6-[(3S)-1-methylsulfonylpiperidin-3-yl]-3-pyridinyl]-1,3-thiazole
SMILESCc1nc(-c2ccc([C@H]3CCCN(S(C)(=O)=O)C3)nc2)sc1C
InChIInChI=1S/C16H21N3O2S2/c1-11-12(2)22-16(18-11)13-6-7-15(17-9-13)14-5-4-8-19(10-14)23(3,20)21/h6-7,9,14H,4-5,8,10H2,1-3H3/t14-/m0/s1
InChIKeyRJMWCDSRESFARU-AWEZNQCLSA-N
XLogP2.96
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.50
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4,5-dimethyl-2-[6-[(3S)-1-methylsulfonylpiperidin-3-yl]-3-pyridinyl]-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

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-[6-[(3S)-1-methylsulfonylpiperidin-3-yl]-3-pyridinyl]-1,3-thiazole?
The IUPAC name of 4,5-dimethyl-2-[6-[(3S)-1-methylsulfonylpiperidin-3-yl]-3-pyridinyl]-1,3-thiazole (CID 124998697) is 4,5-dimethyl-2-[6-[(3S)-1-methylsulfonylpiperidin-3-yl]-3-pyridinyl]-1,3-thiazole.
What is the SMILES notation for 4,5-dimethyl-2-[6-[(3S)-1-methylsulfonylpiperidin-3-yl]-3-pyridinyl]-1,3-thiazole?
The canonical SMILES for 4,5-dimethyl-2-[6-[(3S)-1-methylsulfonylpiperidin-3-yl]-3-pyridinyl]-1,3-thiazole is Cc1nc(-c2ccc([C@H]3CCCN(S(C)(=O)=O)C3)nc2)sc1C.
What is the InChIKey of 4,5-dimethyl-2-[6-[(3S)-1-methylsulfonylpiperidin-3-yl]-3-pyridinyl]-1,3-thiazole?
The InChIKey is RJMWCDSRESFARU-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H21N3O2S2/c1-11-12(2)22-16(18-11)13-6-7-15(17-9-13)14-5-4-8-19(10-14)23(3,20)21/h6-7,9,14H,4-5,8,10H2,1-3H3/t14-/m0/s1.
What are the key properties of 4,5-dimethyl-2-[6-[(3S)-1-methylsulfonylpiperidin-3-yl]-3-pyridinyl]-1,3-thiazole?
4,5-dimethyl-2-[6-[(3S)-1-methylsulfonylpiperidin-3-yl]-3-pyridinyl]-1,3-thiazole has a molecular weight of 351.50 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-[6-[(3S)-1-methylsulfonylpiperidin-3-yl]-3-pyridinyl]-1,3-thiazole is sourced from PubChem (CID 124998697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).