2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)sulfanyl]-4,5-dihydro-1,3-thiazole

C12H12FNS2 — CID 84585558

IUPAC2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)sulfanyl]-4,5-dihydro-1,3-thiazole
SMILESFc1cccc2c1CCC2SC1=NCCS1
InChIInChI=1S/C12H12FNS2/c13-10-3-1-2-9-8(10)4-5-11(9)16-12-14-6-7-15-12/h1-3,11H,4-7H2
InChIKeyHNGUXNWVHRXZJW-UHFFFAOYSA-N
MW253.37 g/mol
LogP3.65
Rot. Bonds1

About 2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)sulfanyl]-4,5-dihydro-1,3-thiazole

2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)sulfanyl]-4,5-dihydro-1,3-thiazole (PubChem CID 84585558) has the molecular formula C12H12FNS2 and a molecular weight of 253.37 g/mol. Its IUPAC name is 2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)sulfanyl]-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)sulfanyl]-4,5-dihydro-1,3-thiazole
PubChem CID84585558
Molecular FormulaC12H12FNS2
Molecular Weight253.37 g/mol
Exact Mass253.04
IUPAC Name2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)sulfanyl]-4,5-dihydro-1,3-thiazole
SMILESFc1cccc2c1CCC2SC1=NCCS1
InChIInChI=1S/C12H12FNS2/c13-10-3-1-2-9-8(10)4-5-11(9)16-12-14-6-7-15-12/h1-3,11H,4-7H2
InChIKeyHNGUXNWVHRXZJW-UHFFFAOYSA-N
XLogP3.65
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)sulfanyl]-4,5-dihydro-1,3-thiazole?
The IUPAC name of 2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)sulfanyl]-4,5-dihydro-1,3-thiazole (CID 84585558) is 2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)sulfanyl]-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for 2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)sulfanyl]-4,5-dihydro-1,3-thiazole?
The canonical SMILES for 2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)sulfanyl]-4,5-dihydro-1,3-thiazole is Fc1cccc2c1CCC2SC1=NCCS1.
What is the InChIKey of 2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)sulfanyl]-4,5-dihydro-1,3-thiazole?
The InChIKey is HNGUXNWVHRXZJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNS2/c13-10-3-1-2-9-8(10)4-5-11(9)16-12-14-6-7-15-12/h1-3,11H,4-7H2.
What are the key properties of 2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)sulfanyl]-4,5-dihydro-1,3-thiazole?
2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)sulfanyl]-4,5-dihydro-1,3-thiazole has a molecular weight of 253.37 g/mol, XLogP of 3.65, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)sulfanyl]-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 84585558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).