(3-methoxy-1,2-thiazol-5-yl)-(2-methylcyclopropyl)methanol

C9H13NO2S — CID 130730400

IUPAC(3-methoxy-1,2-thiazol-5-yl)-(2-methylcyclopropyl)methanol
SMILESCOc1cc(C(O)C2CC2C)sn1
InChIInChI=1S/C9H13NO2S/c1-5-3-6(5)9(11)7-4-8(12-2)10-13-7/h4-6,9,11H,3H2,1-2H3
InChIKeyDPNKKPXBIDFBDX-UHFFFAOYSA-N
MW199.28 g/mol
LogP1.84
Rot. Bonds3

About (3-methoxy-1,2-thiazol-5-yl)-(2-methylcyclopropyl)methanol

(3-methoxy-1,2-thiazol-5-yl)-(2-methylcyclopropyl)methanol (PubChem CID 130730400) has the molecular formula C9H13NO2S and a molecular weight of 199.28 g/mol. Its IUPAC name is (3-methoxy-1,2-thiazol-5-yl)-(2-methylcyclopropyl)methanol.

Molecular Properties

Compound Name(3-methoxy-1,2-thiazol-5-yl)-(2-methylcyclopropyl)methanol
PubChem CID130730400
Molecular FormulaC9H13NO2S
Molecular Weight199.28 g/mol
Exact Mass199.07
IUPAC Name(3-methoxy-1,2-thiazol-5-yl)-(2-methylcyclopropyl)methanol
SMILESCOc1cc(C(O)C2CC2C)sn1
InChIInChI=1S/C9H13NO2S/c1-5-3-6(5)9(11)7-4-8(12-2)10-13-7/h4-6,9,11H,3H2,1-2H3
InChIKeyDPNKKPXBIDFBDX-UHFFFAOYSA-N
XLogP1.84
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

cyclopropyl-(3-methoxy-1,2-thiazol-5-yl)methanol
CID 130748192
(3-methoxy-1,2-thiazol-5-yl)-pyrrolidin-2-ylmethanol
CID 130673824
3-methoxy-5-propan-2-yl-1,2-thiazole
CID 58942655
1-(3-methoxy-1,2-thiazol-5-yl)-2-methylpropane-1,2-diol
CID 130748198
1-(3-methoxy-1,2-thiazol-5-yl)but-3-yn-1-ol
CID 131036535
N-[1-(3-methoxy-1,2-thiazol-5-yl)ethyl]acetamide
CID 157037131
(2-methoxy-1,3-thiazol-4-yl)-(2-methylcyclopropyl)methanol
CID 130571343
(2,6-dimethoxyphenyl)-(2-methylcyclopropyl)methanol
CID 116810169
(4-methoxy-3-pyridinyl)-(2-methylcyclopropyl)methanol
CID 130565651
[2-(3-methoxy-1,2-thiazol-5-yl)cyclopropyl]methanol
CID 130855887
(5-chloro-2-methoxyphenyl)-(2-methylcyclopropyl)methanol
CID 65420387
(3-methoxy-1,2-thiazol-5-yl)-(1H-pyrrol-2-yl)methanamine
CID 130987719

Frequently Asked Questions

What is the IUPAC name of (3-methoxy-1,2-thiazol-5-yl)-(2-methylcyclopropyl)methanol?
The IUPAC name of (3-methoxy-1,2-thiazol-5-yl)-(2-methylcyclopropyl)methanol (CID 130730400) is (3-methoxy-1,2-thiazol-5-yl)-(2-methylcyclopropyl)methanol.
What is the SMILES notation for (3-methoxy-1,2-thiazol-5-yl)-(2-methylcyclopropyl)methanol?
The canonical SMILES for (3-methoxy-1,2-thiazol-5-yl)-(2-methylcyclopropyl)methanol is COc1cc(C(O)C2CC2C)sn1.
What is the InChIKey of (3-methoxy-1,2-thiazol-5-yl)-(2-methylcyclopropyl)methanol?
The InChIKey is DPNKKPXBIDFBDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2S/c1-5-3-6(5)9(11)7-4-8(12-2)10-13-7/h4-6,9,11H,3H2,1-2H3.
What are the key properties of (3-methoxy-1,2-thiazol-5-yl)-(2-methylcyclopropyl)methanol?
(3-methoxy-1,2-thiazol-5-yl)-(2-methylcyclopropyl)methanol has a molecular weight of 199.28 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-1,2-thiazol-5-yl)-(2-methylcyclopropyl)methanol is sourced from PubChem (CID 130730400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).