2-cyclopropyl-5-(2,4-difluorophenyl)-1,3-thiazol-4-ol

C12H9F2NOS — CID 143452203

IUPAC2-cyclopropyl-5-(2,4-difluorophenyl)-1,3-thiazol-4-ol
SMILESOc1nc(C2CC2)sc1-c1ccc(F)cc1F
InChIInChI=1S/C12H9F2NOS/c13-7-3-4-8(9(14)5-7)10-11(16)15-12(17-10)6-1-2-6/h3-6,16H,1-2H2
InChIKeyRAUJYROZVCVJIV-UHFFFAOYSA-N
MW253.27 g/mol
LogP3.67
Rot. Bonds2

About 2-cyclopropyl-5-(2,4-difluorophenyl)-1,3-thiazol-4-ol

2-cyclopropyl-5-(2,4-difluorophenyl)-1,3-thiazol-4-ol (PubChem CID 143452203) has the molecular formula C12H9F2NOS and a molecular weight of 253.27 g/mol. Its IUPAC name is 2-cyclopropyl-5-(2,4-difluorophenyl)-1,3-thiazol-4-ol.

Molecular Properties

Compound Name2-cyclopropyl-5-(2,4-difluorophenyl)-1,3-thiazol-4-ol
PubChem CID143452203
Molecular FormulaC12H9F2NOS
Molecular Weight253.27 g/mol
Exact Mass253.04
IUPAC Name2-cyclopropyl-5-(2,4-difluorophenyl)-1,3-thiazol-4-ol
SMILESOc1nc(C2CC2)sc1-c1ccc(F)cc1F
InChIInChI=1S/C12H9F2NOS/c13-7-3-4-8(9(14)5-7)10-11(16)15-12(17-10)6-1-2-6/h3-6,16H,1-2H2
InChIKeyRAUJYROZVCVJIV-UHFFFAOYSA-N
XLogP3.67
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-5-(2,4-difluorophenyl)-4-hydroperoxy-1,3-thiazole
CID 143451926
2-cyclopropyl-4-(2,4-difluorophenyl)-1,3-thiazol-5-amine
CID 62077686
2-(2,4-difluorophenyl)-5-(4-methylcyclohexyl)-1,3,4-thiadiazole
CID 139479656
2-cyclopropyl-4-(4-fluoro-2-methylphenyl)-1,3-thiazol-5-amine
CID 62125233
2-cyclopropyl-5-(3-fluorophenyl)-4-methyl-1,3-thiazole
CID 58245762
5-[5-(2,4-difluorophenyl)-2-piperidin-4-yl-1,3-thiazol-4-yl]-1-(2-fluorophenyl)pyridin-2-one
CID 66670119
5-[5-(2,4-difluorophenyl)-2-(thian-4-yl)-1,3-thiazol-4-yl]-1-(4-fluoro-2,6-dimethylphenyl)pyridin-2-one
CID 67253836
[4-(6-fluoro-1,3-benzothiazol-2-yl)cyclohexyl]methanamine
CID 79525945
2-cyclopropyl-4-(2,4,5-trifluorophenyl)-1,3-thiazol-5-amine
CID 114058102
2-cyclopropyl-5-(3-fluoro-4-methylphenyl)-4-methyl-1,3-thiazole
CID 70261424
2-(azetidin-3-yl)-4-(2,4-difluorophenyl)-1,3-thiazole
CID 116965323
1-(2,4-difluorophenyl)-2,3,4-trifluorobenzene
CID 90766512

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-(2,4-difluorophenyl)-1,3-thiazol-4-ol?
The IUPAC name of 2-cyclopropyl-5-(2,4-difluorophenyl)-1,3-thiazol-4-ol (CID 143452203) is 2-cyclopropyl-5-(2,4-difluorophenyl)-1,3-thiazol-4-ol.
What is the SMILES notation for 2-cyclopropyl-5-(2,4-difluorophenyl)-1,3-thiazol-4-ol?
The canonical SMILES for 2-cyclopropyl-5-(2,4-difluorophenyl)-1,3-thiazol-4-ol is Oc1nc(C2CC2)sc1-c1ccc(F)cc1F.
What is the InChIKey of 2-cyclopropyl-5-(2,4-difluorophenyl)-1,3-thiazol-4-ol?
The InChIKey is RAUJYROZVCVJIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F2NOS/c13-7-3-4-8(9(14)5-7)10-11(16)15-12(17-10)6-1-2-6/h3-6,16H,1-2H2.
What are the key properties of 2-cyclopropyl-5-(2,4-difluorophenyl)-1,3-thiazol-4-ol?
2-cyclopropyl-5-(2,4-difluorophenyl)-1,3-thiazol-4-ol has a molecular weight of 253.27 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-(2,4-difluorophenyl)-1,3-thiazol-4-ol is sourced from PubChem (CID 143452203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).