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

C17H22N2S — CID 169259988

IUPAC4-methyl-2-(3-phenylpropyl)-5-pyrrolidin-1-yl-1,3-thiazole
SMILESCc1nc(CCCc2ccccc2)sc1N1CCCC1
InChIInChI=1S/C17H22N2S/c1-14-17(19-12-5-6-13-19)20-16(18-14)11-7-10-15-8-3-2-4-9-15/h2-4,8-9H,5-7,10-13H2,1H3
InChIKeyGRJVUNAAVSIGNF-UHFFFAOYSA-N
MW286.44 g/mol
LogP4.23
Rot. Bonds5

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

4-methyl-2-(3-phenylpropyl)-5-pyrrolidin-1-yl-1,3-thiazole (PubChem CID 169259988) has the molecular formula C17H22N2S and a molecular weight of 286.44 g/mol. Its IUPAC name is 4-methyl-2-(3-phenylpropyl)-5-pyrrolidin-1-yl-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-2-(3-phenylpropyl)-5-pyrrolidin-1-yl-1,3-thiazole
PubChem CID169259988
Molecular FormulaC17H22N2S
Molecular Weight286.44 g/mol
Exact Mass286.15
IUPAC Name4-methyl-2-(3-phenylpropyl)-5-pyrrolidin-1-yl-1,3-thiazole
SMILESCc1nc(CCCc2ccccc2)sc1N1CCCC1
InChIInChI=1S/C17H22N2S/c1-14-17(19-12-5-6-13-19)20-16(18-14)11-7-10-15-8-3-2-4-9-15/h2-4,8-9H,5-7,10-13H2,1H3
InChIKeyGRJVUNAAVSIGNF-UHFFFAOYSA-N
XLogP4.23
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(3-phenylpropyl)-5-pyrrolidin-1-yl-1,3-thiazole?
The IUPAC name of 4-methyl-2-(3-phenylpropyl)-5-pyrrolidin-1-yl-1,3-thiazole (CID 169259988) is 4-methyl-2-(3-phenylpropyl)-5-pyrrolidin-1-yl-1,3-thiazole.
What is the SMILES notation for 4-methyl-2-(3-phenylpropyl)-5-pyrrolidin-1-yl-1,3-thiazole?
The canonical SMILES for 4-methyl-2-(3-phenylpropyl)-5-pyrrolidin-1-yl-1,3-thiazole is Cc1nc(CCCc2ccccc2)sc1N1CCCC1.
What is the InChIKey of 4-methyl-2-(3-phenylpropyl)-5-pyrrolidin-1-yl-1,3-thiazole?
The InChIKey is GRJVUNAAVSIGNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2S/c1-14-17(19-12-5-6-13-19)20-16(18-14)11-7-10-15-8-3-2-4-9-15/h2-4,8-9H,5-7,10-13H2,1H3.
What are the key properties of 4-methyl-2-(3-phenylpropyl)-5-pyrrolidin-1-yl-1,3-thiazole?
4-methyl-2-(3-phenylpropyl)-5-pyrrolidin-1-yl-1,3-thiazole has a molecular weight of 286.44 g/mol, XLogP of 4.23, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(3-phenylpropyl)-5-pyrrolidin-1-yl-1,3-thiazole is sourced from PubChem (CID 169259988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).