(2-fluoro-1-methylcyclopropyl)-(2-methoxy-1,3-thiazol-4-yl)methanol

C9H12FNO2S — CID 130854845

IUPAC(2-fluoro-1-methylcyclopropyl)-(2-methoxy-1,3-thiazol-4-yl)methanol
SMILESCOc1nc(C(O)C2(C)CC2F)cs1
InChIInChI=1S/C9H12FNO2S/c1-9(3-6(9)10)7(12)5-4-14-8(11-5)13-2/h4,6-7,12H,3H2,1-2H3
InChIKeyZWIMIUVDYMJVJH-UHFFFAOYSA-N
MW217.26 g/mol
LogP1.93
Rot. Bonds3

About (2-fluoro-1-methylcyclopropyl)-(2-methoxy-1,3-thiazol-4-yl)methanol

(2-fluoro-1-methylcyclopropyl)-(2-methoxy-1,3-thiazol-4-yl)methanol (PubChem CID 130854845) has the molecular formula C9H12FNO2S and a molecular weight of 217.26 g/mol. Its IUPAC name is (2-fluoro-1-methylcyclopropyl)-(2-methoxy-1,3-thiazol-4-yl)methanol.

Molecular Properties

Compound Name(2-fluoro-1-methylcyclopropyl)-(2-methoxy-1,3-thiazol-4-yl)methanol
PubChem CID130854845
Molecular FormulaC9H12FNO2S
Molecular Weight217.26 g/mol
Exact Mass217.06
IUPAC Name(2-fluoro-1-methylcyclopropyl)-(2-methoxy-1,3-thiazol-4-yl)methanol
SMILESCOc1nc(C(O)C2(C)CC2F)cs1
InChIInChI=1S/C9H12FNO2S/c1-9(3-6(9)10)7(12)5-4-14-8(11-5)13-2/h4,6-7,12H,3H2,1-2H3
InChIKeyZWIMIUVDYMJVJH-UHFFFAOYSA-N
XLogP1.93
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-fluoro-1-methylcyclopropyl)-(2-methoxy-1,3-thiazol-4-yl)methanol?
The IUPAC name of (2-fluoro-1-methylcyclopropyl)-(2-methoxy-1,3-thiazol-4-yl)methanol (CID 130854845) is (2-fluoro-1-methylcyclopropyl)-(2-methoxy-1,3-thiazol-4-yl)methanol.
What is the SMILES notation for (2-fluoro-1-methylcyclopropyl)-(2-methoxy-1,3-thiazol-4-yl)methanol?
The canonical SMILES for (2-fluoro-1-methylcyclopropyl)-(2-methoxy-1,3-thiazol-4-yl)methanol is COc1nc(C(O)C2(C)CC2F)cs1.
What is the InChIKey of (2-fluoro-1-methylcyclopropyl)-(2-methoxy-1,3-thiazol-4-yl)methanol?
The InChIKey is ZWIMIUVDYMJVJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO2S/c1-9(3-6(9)10)7(12)5-4-14-8(11-5)13-2/h4,6-7,12H,3H2,1-2H3.
What are the key properties of (2-fluoro-1-methylcyclopropyl)-(2-methoxy-1,3-thiazol-4-yl)methanol?
(2-fluoro-1-methylcyclopropyl)-(2-methoxy-1,3-thiazol-4-yl)methanol has a molecular weight of 217.26 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-1-methylcyclopropyl)-(2-methoxy-1,3-thiazol-4-yl)methanol is sourced from PubChem (CID 130854845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).