2-cyclopropyl-5-(3-fluorophenyl)-4-methyl-1,3-thiazole

C13H12FNS — CID 58245762

IUPAC2-cyclopropyl-5-(3-fluorophenyl)-4-methyl-1,3-thiazole
SMILESCc1nc(C2CC2)sc1-c1cccc(F)c1
InChIInChI=1S/C13H12FNS/c1-8-12(10-3-2-4-11(14)7-10)16-13(15-8)9-5-6-9/h2-4,7,9H,5-6H2,1H3
InChIKeyQGXREPWDLLAOTN-UHFFFAOYSA-N
MW233.31 g/mol
LogP4.14
Rot. Bonds2

About 2-cyclopropyl-5-(3-fluorophenyl)-4-methyl-1,3-thiazole

2-cyclopropyl-5-(3-fluorophenyl)-4-methyl-1,3-thiazole (PubChem CID 58245762) has the molecular formula C13H12FNS and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-cyclopropyl-5-(3-fluorophenyl)-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-cyclopropyl-5-(3-fluorophenyl)-4-methyl-1,3-thiazole
PubChem CID58245762
Molecular FormulaC13H12FNS
Molecular Weight233.31 g/mol
Exact Mass233.07
IUPAC Name2-cyclopropyl-5-(3-fluorophenyl)-4-methyl-1,3-thiazole
SMILESCc1nc(C2CC2)sc1-c1cccc(F)c1
InChIInChI=1S/C13H12FNS/c1-8-12(10-3-2-4-11(14)7-10)16-13(15-8)9-5-6-9/h2-4,7,9H,5-6H2,1H3
InChIKeyQGXREPWDLLAOTN-UHFFFAOYSA-N
XLogP4.14
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-(3-fluorophenyl)-4-methyl-1,3-thiazole?
The IUPAC name of 2-cyclopropyl-5-(3-fluorophenyl)-4-methyl-1,3-thiazole (CID 58245762) is 2-cyclopropyl-5-(3-fluorophenyl)-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-cyclopropyl-5-(3-fluorophenyl)-4-methyl-1,3-thiazole?
The canonical SMILES for 2-cyclopropyl-5-(3-fluorophenyl)-4-methyl-1,3-thiazole is Cc1nc(C2CC2)sc1-c1cccc(F)c1.
What is the InChIKey of 2-cyclopropyl-5-(3-fluorophenyl)-4-methyl-1,3-thiazole?
The InChIKey is QGXREPWDLLAOTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNS/c1-8-12(10-3-2-4-11(14)7-10)16-13(15-8)9-5-6-9/h2-4,7,9H,5-6H2,1H3.
What are the key properties of 2-cyclopropyl-5-(3-fluorophenyl)-4-methyl-1,3-thiazole?
2-cyclopropyl-5-(3-fluorophenyl)-4-methyl-1,3-thiazole has a molecular weight of 233.31 g/mol, XLogP of 4.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-(3-fluorophenyl)-4-methyl-1,3-thiazole is sourced from PubChem (CID 58245762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).