4-methyl-5-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]-1,3-thiazole

C14H17N3S — CID 136543289

IUPAC4-methyl-5-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]-1,3-thiazole
SMILESCc1ncsc1CN1CCCC1c1cccnc1
InChIInChI=1S/C14H17N3S/c1-11-14(18-10-16-11)9-17-7-3-5-13(17)12-4-2-6-15-8-12/h2,4,6,8,10,13H,3,5,7,9H2,1H3
InChIKeyUKAVAJSVIAJIEN-UHFFFAOYSA-N
MW259.38 g/mol
LogP3.18
Rot. Bonds3

About 4-methyl-5-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]-1,3-thiazole

4-methyl-5-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]-1,3-thiazole (PubChem CID 136543289) has the molecular formula C14H17N3S and a molecular weight of 259.38 g/mol. Its IUPAC name is 4-methyl-5-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-5-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]-1,3-thiazole
PubChem CID136543289
Molecular FormulaC14H17N3S
Molecular Weight259.38 g/mol
Exact Mass259.11
IUPAC Name4-methyl-5-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]-1,3-thiazole
SMILESCc1ncsc1CN1CCCC1c1cccnc1
InChIInChI=1S/C14H17N3S/c1-11-14(18-10-16-11)9-17-7-3-5-13(17)12-4-2-6-15-8-12/h2,4,6,8,10,13H,3,5,7,9H2,1H3
InChIKeyUKAVAJSVIAJIEN-UHFFFAOYSA-N
XLogP3.18
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.38
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methyl-1,3-thiazol-5-yl)-1-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]propan-1-one
CID 96574369
3-methyl-5-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]pyridine
CID 146126331
2-methoxy-5-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]pyrimidine
CID 131932086
N-methyl-2-(2-pyridin-3-ylpyrrolidin-1-yl)ethanamine
CID 176918761
2-cyclopropyl-5-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]pyrimidine
CID 136547341
2-(2-methoxyethyl)-5-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]-1,3-thiazole
CID 136558630
5-benzyl-2-[(2S)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]-1,3-oxazole
CID 125026769
1-(2-pyridin-3-ylpyrrolidin-1-yl)propan-2-ol
CID 67495346
2-methylsulfanyl-5-[[(2R)-2-pyridin-3-ylpiperidin-1-yl]methyl]pyrimidine
CID 99954193
3-[(2R)-1-[2-[2-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]ethoxy]ethyl]pyrrolidin-2-yl]pyridine
CID 59533117
3-(1-methyl(115N)azolidin-2-yl)pyridine
CID 11126596
hydron;bis(3-(1-methylpyrrolidin-2-yl)pyridine)
CID 158783488

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]-1,3-thiazole?
The IUPAC name of 4-methyl-5-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]-1,3-thiazole (CID 136543289) is 4-methyl-5-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 4-methyl-5-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]-1,3-thiazole?
The canonical SMILES for 4-methyl-5-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]-1,3-thiazole is Cc1ncsc1CN1CCCC1c1cccnc1.
What is the InChIKey of 4-methyl-5-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]-1,3-thiazole?
The InChIKey is UKAVAJSVIAJIEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3S/c1-11-14(18-10-16-11)9-17-7-3-5-13(17)12-4-2-6-15-8-12/h2,4,6,8,10,13H,3,5,7,9H2,1H3.
What are the key properties of 4-methyl-5-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]-1,3-thiazole?
4-methyl-5-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]-1,3-thiazole has a molecular weight of 259.38 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 136543289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).