4-methyl-2-(3-pyridin-2-ylpropyl)-5-pyrrolidin-1-yl-1,3-thiazole

C16H21N3S — CID 169260083

IUPAC4-methyl-2-(3-pyridin-2-ylpropyl)-5-pyrrolidin-1-yl-1,3-thiazole
SMILESCc1nc(CCCc2ccccn2)sc1N1CCCC1
InChIInChI=1S/C16H21N3S/c1-13-16(19-11-4-5-12-19)20-15(18-13)9-6-8-14-7-2-3-10-17-14/h2-3,7,10H,4-6,8-9,11-12H2,1H3
InChIKeyWDPBWKZLICXGNR-UHFFFAOYSA-N
MW287.43 g/mol
LogP3.62
Rot. Bonds5

About 4-methyl-2-(3-pyridin-2-ylpropyl)-5-pyrrolidin-1-yl-1,3-thiazole

4-methyl-2-(3-pyridin-2-ylpropyl)-5-pyrrolidin-1-yl-1,3-thiazole (PubChem CID 169260083) has the molecular formula C16H21N3S and a molecular weight of 287.43 g/mol. Its IUPAC name is 4-methyl-2-(3-pyridin-2-ylpropyl)-5-pyrrolidin-1-yl-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-2-(3-pyridin-2-ylpropyl)-5-pyrrolidin-1-yl-1,3-thiazole
PubChem CID169260083
Molecular FormulaC16H21N3S
Molecular Weight287.43 g/mol
Exact Mass287.15
IUPAC Name4-methyl-2-(3-pyridin-2-ylpropyl)-5-pyrrolidin-1-yl-1,3-thiazole
SMILESCc1nc(CCCc2ccccn2)sc1N1CCCC1
InChIInChI=1S/C16H21N3S/c1-13-16(19-11-4-5-12-19)20-15(18-13)9-6-8-14-7-2-3-10-17-14/h2-3,7,10H,4-6,8-9,11-12H2,1H3
InChIKeyWDPBWKZLICXGNR-UHFFFAOYSA-N
XLogP3.62
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(3-pyridin-2-ylpropyl)-5-pyrrolidin-1-yl-1,3-thiazole?
The IUPAC name of 4-methyl-2-(3-pyridin-2-ylpropyl)-5-pyrrolidin-1-yl-1,3-thiazole (CID 169260083) is 4-methyl-2-(3-pyridin-2-ylpropyl)-5-pyrrolidin-1-yl-1,3-thiazole.
What is the SMILES notation for 4-methyl-2-(3-pyridin-2-ylpropyl)-5-pyrrolidin-1-yl-1,3-thiazole?
The canonical SMILES for 4-methyl-2-(3-pyridin-2-ylpropyl)-5-pyrrolidin-1-yl-1,3-thiazole is Cc1nc(CCCc2ccccn2)sc1N1CCCC1.
What is the InChIKey of 4-methyl-2-(3-pyridin-2-ylpropyl)-5-pyrrolidin-1-yl-1,3-thiazole?
The InChIKey is WDPBWKZLICXGNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3S/c1-13-16(19-11-4-5-12-19)20-15(18-13)9-6-8-14-7-2-3-10-17-14/h2-3,7,10H,4-6,8-9,11-12H2,1H3.
What are the key properties of 4-methyl-2-(3-pyridin-2-ylpropyl)-5-pyrrolidin-1-yl-1,3-thiazole?
4-methyl-2-(3-pyridin-2-ylpropyl)-5-pyrrolidin-1-yl-1,3-thiazole has a molecular weight of 287.43 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(3-pyridin-2-ylpropyl)-5-pyrrolidin-1-yl-1,3-thiazole is sourced from PubChem (CID 169260083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).