1-[2-(difluoromethyl)-1,3-thiazol-5-yl]cyclopropan-1-ol

C7H7F2NOS — CID 84771797

IUPAC1-[2-(difluoromethyl)-1,3-thiazol-5-yl]cyclopropan-1-ol
SMILESOC1(c2cnc(C(F)F)s2)CC1
InChIInChI=1S/C7H7F2NOS/c8-5(9)6-10-3-4(12-6)7(11)1-2-7/h3,5,11H,1-2H2
InChIKeyKLNQVSGNRVMXIM-UHFFFAOYSA-N
MW191.20 g/mol
LogP2.06
Rot. Bonds2

About 1-[2-(difluoromethyl)-1,3-thiazol-5-yl]cyclopropan-1-ol

1-[2-(difluoromethyl)-1,3-thiazol-5-yl]cyclopropan-1-ol (PubChem CID 84771797) has the molecular formula C7H7F2NOS and a molecular weight of 191.20 g/mol. Its IUPAC name is 1-[2-(difluoromethyl)-1,3-thiazol-5-yl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[2-(difluoromethyl)-1,3-thiazol-5-yl]cyclopropan-1-ol
PubChem CID84771797
Molecular FormulaC7H7F2NOS
Molecular Weight191.20 g/mol
Exact Mass191.02
IUPAC Name1-[2-(difluoromethyl)-1,3-thiazol-5-yl]cyclopropan-1-ol
SMILESOC1(c2cnc(C(F)F)s2)CC1
InChIInChI=1S/C7H7F2NOS/c8-5(9)6-10-3-4(12-6)7(11)1-2-7/h3,5,11H,1-2H2
InChIKeyKLNQVSGNRVMXIM-UHFFFAOYSA-N
XLogP2.06
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.20
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethyl)-1,3-thiazol-5-yl]cyclopropan-1-ol?
The IUPAC name of 1-[2-(difluoromethyl)-1,3-thiazol-5-yl]cyclopropan-1-ol (CID 84771797) is 1-[2-(difluoromethyl)-1,3-thiazol-5-yl]cyclopropan-1-ol.
What is the SMILES notation for 1-[2-(difluoromethyl)-1,3-thiazol-5-yl]cyclopropan-1-ol?
The canonical SMILES for 1-[2-(difluoromethyl)-1,3-thiazol-5-yl]cyclopropan-1-ol is OC1(c2cnc(C(F)F)s2)CC1.
What is the InChIKey of 1-[2-(difluoromethyl)-1,3-thiazol-5-yl]cyclopropan-1-ol?
The InChIKey is KLNQVSGNRVMXIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F2NOS/c8-5(9)6-10-3-4(12-6)7(11)1-2-7/h3,5,11H,1-2H2.
What are the key properties of 1-[2-(difluoromethyl)-1,3-thiazol-5-yl]cyclopropan-1-ol?
1-[2-(difluoromethyl)-1,3-thiazol-5-yl]cyclopropan-1-ol has a molecular weight of 191.20 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethyl)-1,3-thiazol-5-yl]cyclopropan-1-ol is sourced from PubChem (CID 84771797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).