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

C19H26N2S — CID 169259953

IUPAC2-(3-phenylpropyl)-4-propan-2-yl-5-pyrrolidin-1-yl-1,3-thiazole
SMILESCC(C)c1nc(CCCc2ccccc2)sc1N1CCCC1
InChIInChI=1S/C19H26N2S/c1-15(2)18-19(21-13-6-7-14-21)22-17(20-18)12-8-11-16-9-4-3-5-10-16/h3-5,9-10,15H,6-8,11-14H2,1-2H3
InChIKeyAABRXJILNZGHPN-UHFFFAOYSA-N
MW314.50 g/mol
LogP5.04
Rot. Bonds6

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

2-(3-phenylpropyl)-4-propan-2-yl-5-pyrrolidin-1-yl-1,3-thiazole (PubChem CID 169259953) has the molecular formula C19H26N2S and a molecular weight of 314.50 g/mol. Its IUPAC name is 2-(3-phenylpropyl)-4-propan-2-yl-5-pyrrolidin-1-yl-1,3-thiazole.

Molecular Properties

Compound Name2-(3-phenylpropyl)-4-propan-2-yl-5-pyrrolidin-1-yl-1,3-thiazole
PubChem CID169259953
Molecular FormulaC19H26N2S
Molecular Weight314.50 g/mol
Exact Mass314.18
IUPAC Name2-(3-phenylpropyl)-4-propan-2-yl-5-pyrrolidin-1-yl-1,3-thiazole
SMILESCC(C)c1nc(CCCc2ccccc2)sc1N1CCCC1
InChIInChI=1S/C19H26N2S/c1-15(2)18-19(21-13-6-7-14-21)22-17(20-18)12-8-11-16-9-4-3-5-10-16/h3-5,9-10,15H,6-8,11-14H2,1-2H3
InChIKeyAABRXJILNZGHPN-UHFFFAOYSA-N
XLogP5.04
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.50
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-phenylpropyl)-4-propan-2-yl-5-pyrrolidin-1-yl-1,3-thiazole?
The IUPAC name of 2-(3-phenylpropyl)-4-propan-2-yl-5-pyrrolidin-1-yl-1,3-thiazole (CID 169259953) is 2-(3-phenylpropyl)-4-propan-2-yl-5-pyrrolidin-1-yl-1,3-thiazole.
What is the SMILES notation for 2-(3-phenylpropyl)-4-propan-2-yl-5-pyrrolidin-1-yl-1,3-thiazole?
The canonical SMILES for 2-(3-phenylpropyl)-4-propan-2-yl-5-pyrrolidin-1-yl-1,3-thiazole is CC(C)c1nc(CCCc2ccccc2)sc1N1CCCC1.
What is the InChIKey of 2-(3-phenylpropyl)-4-propan-2-yl-5-pyrrolidin-1-yl-1,3-thiazole?
The InChIKey is AABRXJILNZGHPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2S/c1-15(2)18-19(21-13-6-7-14-21)22-17(20-18)12-8-11-16-9-4-3-5-10-16/h3-5,9-10,15H,6-8,11-14H2,1-2H3.
What are the key properties of 2-(3-phenylpropyl)-4-propan-2-yl-5-pyrrolidin-1-yl-1,3-thiazole?
2-(3-phenylpropyl)-4-propan-2-yl-5-pyrrolidin-1-yl-1,3-thiazole has a molecular weight of 314.50 g/mol, XLogP of 5.04, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenylpropyl)-4-propan-2-yl-5-pyrrolidin-1-yl-1,3-thiazole is sourced from PubChem (CID 169259953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).