4-cyclopropyl-2-[(2-fluorophenyl)methyl]-1,3-thiazole

C13H12FNS — CID 112691564

IUPAC4-cyclopropyl-2-[(2-fluorophenyl)methyl]-1,3-thiazole
SMILESFc1ccccc1Cc1nc(C2CC2)cs1
InChIInChI=1S/C13H12FNS/c14-11-4-2-1-3-10(11)7-13-15-12(8-16-13)9-5-6-9/h1-4,8-9H,5-7H2
InChIKeyFXOVHJPZUQVEBZ-UHFFFAOYSA-N
MW233.31 g/mol
LogP3.75
Rot. Bonds3

About 4-cyclopropyl-2-[(2-fluorophenyl)methyl]-1,3-thiazole

4-cyclopropyl-2-[(2-fluorophenyl)methyl]-1,3-thiazole (PubChem CID 112691564) has the molecular formula C13H12FNS and a molecular weight of 233.31 g/mol. Its IUPAC name is 4-cyclopropyl-2-[(2-fluorophenyl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-cyclopropyl-2-[(2-fluorophenyl)methyl]-1,3-thiazole
PubChem CID112691564
Molecular FormulaC13H12FNS
Molecular Weight233.31 g/mol
Exact Mass233.07
IUPAC Name4-cyclopropyl-2-[(2-fluorophenyl)methyl]-1,3-thiazole
SMILESFc1ccccc1Cc1nc(C2CC2)cs1
InChIInChI=1S/C13H12FNS/c14-11-4-2-1-3-10(11)7-13-15-12(8-16-13)9-5-6-9/h1-4,8-9H,5-7H2
InChIKeyFXOVHJPZUQVEBZ-UHFFFAOYSA-N
XLogP3.75
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-[(2-fluorophenyl)methyl]-1,3-thiazole?
The IUPAC name of 4-cyclopropyl-2-[(2-fluorophenyl)methyl]-1,3-thiazole (CID 112691564) is 4-cyclopropyl-2-[(2-fluorophenyl)methyl]-1,3-thiazole.
What is the SMILES notation for 4-cyclopropyl-2-[(2-fluorophenyl)methyl]-1,3-thiazole?
The canonical SMILES for 4-cyclopropyl-2-[(2-fluorophenyl)methyl]-1,3-thiazole is Fc1ccccc1Cc1nc(C2CC2)cs1.
What is the InChIKey of 4-cyclopropyl-2-[(2-fluorophenyl)methyl]-1,3-thiazole?
The InChIKey is FXOVHJPZUQVEBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNS/c14-11-4-2-1-3-10(11)7-13-15-12(8-16-13)9-5-6-9/h1-4,8-9H,5-7H2.
What are the key properties of 4-cyclopropyl-2-[(2-fluorophenyl)methyl]-1,3-thiazole?
4-cyclopropyl-2-[(2-fluorophenyl)methyl]-1,3-thiazole has a molecular weight of 233.31 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-[(2-fluorophenyl)methyl]-1,3-thiazole is sourced from PubChem (CID 112691564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).