2-chloro-5-cyclopentyl-4-[4-(difluoromethoxy)phenyl]-1,3-thiazole

C15H14ClF2NOS — CID 167489489

IUPAC2-chloro-5-cyclopentyl-4-[4-(difluoromethoxy)phenyl]-1,3-thiazole
SMILESFC(F)Oc1ccc(-c2nc(Cl)sc2C2CCCC2)cc1
InChIInChI=1S/C15H14ClF2NOS/c16-14-19-12(13(21-14)10-3-1-2-4-10)9-5-7-11(8-6-9)20-15(17)18/h5-8,10,15H,1-4H2
InChIKeyAVTLKVXJFQNWAL-UHFFFAOYSA-N
MW329.80 g/mol
LogP5.72
Rot. Bonds4

About 2-chloro-5-cyclopentyl-4-[4-(difluoromethoxy)phenyl]-1,3-thiazole

2-chloro-5-cyclopentyl-4-[4-(difluoromethoxy)phenyl]-1,3-thiazole (PubChem CID 167489489) has the molecular formula C15H14ClF2NOS and a molecular weight of 329.80 g/mol. Its IUPAC name is 2-chloro-5-cyclopentyl-4-[4-(difluoromethoxy)phenyl]-1,3-thiazole.

Molecular Properties

Compound Name2-chloro-5-cyclopentyl-4-[4-(difluoromethoxy)phenyl]-1,3-thiazole
PubChem CID167489489
Molecular FormulaC15H14ClF2NOS
Molecular Weight329.80 g/mol
Exact Mass329.05
IUPAC Name2-chloro-5-cyclopentyl-4-[4-(difluoromethoxy)phenyl]-1,3-thiazole
SMILESFC(F)Oc1ccc(-c2nc(Cl)sc2C2CCCC2)cc1
InChIInChI=1S/C15H14ClF2NOS/c16-14-19-12(13(21-14)10-3-1-2-4-10)9-5-7-11(8-6-9)20-15(17)18/h5-8,10,15H,1-4H2
InChIKeyAVTLKVXJFQNWAL-UHFFFAOYSA-N
XLogP5.72
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.80
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-cyclopentyl-4-[4-(difluoromethoxy)phenyl]-1,3-thiazole?
The IUPAC name of 2-chloro-5-cyclopentyl-4-[4-(difluoromethoxy)phenyl]-1,3-thiazole (CID 167489489) is 2-chloro-5-cyclopentyl-4-[4-(difluoromethoxy)phenyl]-1,3-thiazole.
What is the SMILES notation for 2-chloro-5-cyclopentyl-4-[4-(difluoromethoxy)phenyl]-1,3-thiazole?
The canonical SMILES for 2-chloro-5-cyclopentyl-4-[4-(difluoromethoxy)phenyl]-1,3-thiazole is FC(F)Oc1ccc(-c2nc(Cl)sc2C2CCCC2)cc1.
What is the InChIKey of 2-chloro-5-cyclopentyl-4-[4-(difluoromethoxy)phenyl]-1,3-thiazole?
The InChIKey is AVTLKVXJFQNWAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF2NOS/c16-14-19-12(13(21-14)10-3-1-2-4-10)9-5-7-11(8-6-9)20-15(17)18/h5-8,10,15H,1-4H2.
What are the key properties of 2-chloro-5-cyclopentyl-4-[4-(difluoromethoxy)phenyl]-1,3-thiazole?
2-chloro-5-cyclopentyl-4-[4-(difluoromethoxy)phenyl]-1,3-thiazole has a molecular weight of 329.80 g/mol, XLogP of 5.72, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-cyclopentyl-4-[4-(difluoromethoxy)phenyl]-1,3-thiazole is sourced from PubChem (CID 167489489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).