3-(3-phenylpropyl)-1,2-thiazole

C12H13NS — CID 141014951

IUPAC3-(3-phenylpropyl)-1,2-thiazole
SMILESc1ccc(CCCc2ccsn2)cc1
InChIInChI=1S/C12H13NS/c1-2-5-11(6-3-1)7-4-8-12-9-10-14-13-12/h1-3,5-6,9-10H,4,7-8H2
InChIKeyOQBNRYJRDLXFKV-UHFFFAOYSA-N
MW203.31 g/mol
LogP3.32
Rot. Bonds4

About 3-(3-phenylpropyl)-1,2-thiazole

3-(3-phenylpropyl)-1,2-thiazole (PubChem CID 141014951) has the molecular formula C12H13NS and a molecular weight of 203.31 g/mol. Its IUPAC name is 3-(3-phenylpropyl)-1,2-thiazole.

Molecular Properties

Compound Name3-(3-phenylpropyl)-1,2-thiazole
PubChem CID141014951
Molecular FormulaC12H13NS
Molecular Weight203.31 g/mol
Exact Mass203.08
IUPAC Name3-(3-phenylpropyl)-1,2-thiazole
SMILESc1ccc(CCCc2ccsn2)cc1
InChIInChI=1S/C12H13NS/c1-2-5-11(6-3-1)7-4-8-12-9-10-14-13-12/h1-3,5-6,9-10H,4,7-8H2
InChIKeyOQBNRYJRDLXFKV-UHFFFAOYSA-N
XLogP3.32
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-phenylpropyl)-1,2-thiazole?
The IUPAC name of 3-(3-phenylpropyl)-1,2-thiazole (CID 141014951) is 3-(3-phenylpropyl)-1,2-thiazole.
What is the SMILES notation for 3-(3-phenylpropyl)-1,2-thiazole?
The canonical SMILES for 3-(3-phenylpropyl)-1,2-thiazole is c1ccc(CCCc2ccsn2)cc1.
What is the InChIKey of 3-(3-phenylpropyl)-1,2-thiazole?
The InChIKey is OQBNRYJRDLXFKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NS/c1-2-5-11(6-3-1)7-4-8-12-9-10-14-13-12/h1-3,5-6,9-10H,4,7-8H2.
What are the key properties of 3-(3-phenylpropyl)-1,2-thiazole?
3-(3-phenylpropyl)-1,2-thiazole has a molecular weight of 203.31 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-phenylpropyl)-1,2-thiazole is sourced from PubChem (CID 141014951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).