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

C10H15NO2S — CID 130632361

IUPAC(2,2-dimethylcyclopropyl)-(3-methoxy-1,2-thiazol-5-yl)methanol
SMILESCOc1cc(C(O)C2CC2(C)C)sn1
InChIInChI=1S/C10H15NO2S/c1-10(2)5-6(10)9(12)7-4-8(13-3)11-14-7/h4,6,9,12H,5H2,1-3H3
InChIKeyOMRXHSQVYHKXTC-UHFFFAOYSA-N
MW213.30 g/mol
LogP2.23
Rot. Bonds3

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

(2,2-dimethylcyclopropyl)-(3-methoxy-1,2-thiazol-5-yl)methanol (PubChem CID 130632361) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is (2,2-dimethylcyclopropyl)-(3-methoxy-1,2-thiazol-5-yl)methanol.

Molecular Properties

Compound Name(2,2-dimethylcyclopropyl)-(3-methoxy-1,2-thiazol-5-yl)methanol
PubChem CID130632361
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC Name(2,2-dimethylcyclopropyl)-(3-methoxy-1,2-thiazol-5-yl)methanol
SMILESCOc1cc(C(O)C2CC2(C)C)sn1
InChIInChI=1S/C10H15NO2S/c1-10(2)5-6(10)9(12)7-4-8(13-3)11-14-7/h4,6,9,12H,5H2,1-3H3
InChIKeyOMRXHSQVYHKXTC-UHFFFAOYSA-N
XLogP2.23
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,2-dimethylcyclopropyl)-(3-methoxy-1,2-thiazol-5-yl)methanol?
The IUPAC name of (2,2-dimethylcyclopropyl)-(3-methoxy-1,2-thiazol-5-yl)methanol (CID 130632361) is (2,2-dimethylcyclopropyl)-(3-methoxy-1,2-thiazol-5-yl)methanol.
What is the SMILES notation for (2,2-dimethylcyclopropyl)-(3-methoxy-1,2-thiazol-5-yl)methanol?
The canonical SMILES for (2,2-dimethylcyclopropyl)-(3-methoxy-1,2-thiazol-5-yl)methanol is COc1cc(C(O)C2CC2(C)C)sn1.
What is the InChIKey of (2,2-dimethylcyclopropyl)-(3-methoxy-1,2-thiazol-5-yl)methanol?
The InChIKey is OMRXHSQVYHKXTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S/c1-10(2)5-6(10)9(12)7-4-8(13-3)11-14-7/h4,6,9,12H,5H2,1-3H3.
What are the key properties of (2,2-dimethylcyclopropyl)-(3-methoxy-1,2-thiazol-5-yl)methanol?
(2,2-dimethylcyclopropyl)-(3-methoxy-1,2-thiazol-5-yl)methanol has a molecular weight of 213.30 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethylcyclopropyl)-(3-methoxy-1,2-thiazol-5-yl)methanol is sourced from PubChem (CID 130632361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).