4-methyl-2-[4-[(1-methylsulfonylpyrrolidin-3-yl)methyl]-2-pyridinyl]-1,3-thiazole

C15H19N3O2S2 — CID 110100349

IUPAC4-methyl-2-[4-[(1-methylsulfonylpyrrolidin-3-yl)methyl]-2-pyridinyl]-1,3-thiazole
SMILESCc1csc(-c2cc(CC3CCN(S(C)(=O)=O)C3)ccn2)n1
InChIInChI=1S/C15H19N3O2S2/c1-11-10-21-15(17-11)14-8-12(3-5-16-14)7-13-4-6-18(9-13)22(2,19)20/h3,5,8,10,13H,4,6-7,9H2,1-2H3
InChIKeyUWQUJDLEOOGMRC-UHFFFAOYSA-N
MW337.47 g/mol
LogP2.34
Rot. Bonds4

About 4-methyl-2-[4-[(1-methylsulfonylpyrrolidin-3-yl)methyl]-2-pyridinyl]-1,3-thiazole

4-methyl-2-[4-[(1-methylsulfonylpyrrolidin-3-yl)methyl]-2-pyridinyl]-1,3-thiazole (PubChem CID 110100349) has the molecular formula C15H19N3O2S2 and a molecular weight of 337.47 g/mol. Its IUPAC name is 4-methyl-2-[4-[(1-methylsulfonylpyrrolidin-3-yl)methyl]-2-pyridinyl]-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-2-[4-[(1-methylsulfonylpyrrolidin-3-yl)methyl]-2-pyridinyl]-1,3-thiazole
PubChem CID110100349
Molecular FormulaC15H19N3O2S2
Molecular Weight337.47 g/mol
Exact Mass337.09
IUPAC Name4-methyl-2-[4-[(1-methylsulfonylpyrrolidin-3-yl)methyl]-2-pyridinyl]-1,3-thiazole
SMILESCc1csc(-c2cc(CC3CCN(S(C)(=O)=O)C3)ccn2)n1
InChIInChI=1S/C15H19N3O2S2/c1-11-10-21-15(17-11)14-8-12(3-5-16-14)7-13-4-6-18(9-13)22(2,19)20/h3,5,8,10,13H,4,6-7,9H2,1-2H3
InChIKeyUWQUJDLEOOGMRC-UHFFFAOYSA-N
XLogP2.34
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-[[2-(4-methyl-1,3-thiazol-2-yl)-4-pyridinyl]methyl]piperidin-1-yl]ethanone
CID 110100353
2-(2-ethylpyrazol-3-yl)-4-[[(3S)-1-methylsulfonylpyrrolidin-3-yl]methyl]pyridine
CID 125017183
4-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]methyl]-2-(2-propan-2-ylpyrazol-3-yl)pyridine
CID 125005949
4-[(1-methylsulfonylpiperidin-3-yl)methyl]-2-(2-propylpyrazol-3-yl)pyridine
CID 127246039
4-[(1-methylsulfonylpiperidin-4-yl)methyl]-2-(2-propan-2-ylpyrazol-3-yl)pyridine
CID 110102022
3-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyridine
CID 110269303
1-[3-[[6-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-yl]methyl]pyrrolidin-1-yl]ethanone
CID 110100464
2-imidazol-1-yl-4-[(1-methylsulfonylpiperidin-3-yl)methyl]pyridine
CID 110257313
4-[(1-methylsulfonylpiperidin-3-yl)methyl]-N-pyridin-2-ylpyridin-2-amine
CID 110256844
4-methyl-2-[6-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrimidin-4-yl]-1,3-thiazole
CID 110100455
4,5-dimethyl-2-[6-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrimidin-4-yl]-1,3-thiazole
CID 132765382
2-(2-ethylpyrazol-3-yl)-5-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]methyl]pyridine
CID 125022325

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[4-[(1-methylsulfonylpyrrolidin-3-yl)methyl]-2-pyridinyl]-1,3-thiazole?
The IUPAC name of 4-methyl-2-[4-[(1-methylsulfonylpyrrolidin-3-yl)methyl]-2-pyridinyl]-1,3-thiazole (CID 110100349) is 4-methyl-2-[4-[(1-methylsulfonylpyrrolidin-3-yl)methyl]-2-pyridinyl]-1,3-thiazole.
What is the SMILES notation for 4-methyl-2-[4-[(1-methylsulfonylpyrrolidin-3-yl)methyl]-2-pyridinyl]-1,3-thiazole?
The canonical SMILES for 4-methyl-2-[4-[(1-methylsulfonylpyrrolidin-3-yl)methyl]-2-pyridinyl]-1,3-thiazole is Cc1csc(-c2cc(CC3CCN(S(C)(=O)=O)C3)ccn2)n1.
What is the InChIKey of 4-methyl-2-[4-[(1-methylsulfonylpyrrolidin-3-yl)methyl]-2-pyridinyl]-1,3-thiazole?
The InChIKey is UWQUJDLEOOGMRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S2/c1-11-10-21-15(17-11)14-8-12(3-5-16-14)7-13-4-6-18(9-13)22(2,19)20/h3,5,8,10,13H,4,6-7,9H2,1-2H3.
What are the key properties of 4-methyl-2-[4-[(1-methylsulfonylpyrrolidin-3-yl)methyl]-2-pyridinyl]-1,3-thiazole?
4-methyl-2-[4-[(1-methylsulfonylpyrrolidin-3-yl)methyl]-2-pyridinyl]-1,3-thiazole has a molecular weight of 337.47 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[4-[(1-methylsulfonylpyrrolidin-3-yl)methyl]-2-pyridinyl]-1,3-thiazole is sourced from PubChem (CID 110100349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).