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

C9H13NO2S — CID 126999968

IUPAC(3-methoxy-1,2-thiazol-5-yl)-(1-methylcyclopropyl)methanol
SMILESCOc1cc(C(O)C2(C)CC2)sn1
InChIInChI=1S/C9H13NO2S/c1-9(3-4-9)8(11)6-5-7(12-2)10-13-6/h5,8,11H,3-4H2,1-2H3
InChIKeyUGEWJOIDBZIZMG-UHFFFAOYSA-N
MW199.28 g/mol
LogP1.99
Rot. Bonds3

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

(3-methoxy-1,2-thiazol-5-yl)-(1-methylcyclopropyl)methanol (PubChem CID 126999968) 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)-(1-methylcyclopropyl)methanol.

Molecular Properties

Compound Name(3-methoxy-1,2-thiazol-5-yl)-(1-methylcyclopropyl)methanol
PubChem CID126999968
Molecular FormulaC9H13NO2S
Molecular Weight199.28 g/mol
Exact Mass199.07
IUPAC Name(3-methoxy-1,2-thiazol-5-yl)-(1-methylcyclopropyl)methanol
SMILESCOc1cc(C(O)C2(C)CC2)sn1
InChIInChI=1S/C9H13NO2S/c1-9(3-4-9)8(11)6-5-7(12-2)10-13-6/h5,8,11H,3-4H2,1-2H3
InChIKeyUGEWJOIDBZIZMG-UHFFFAOYSA-N
XLogP1.99
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 ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-methoxy-1,2-thiazol-5-yl)-(1-methylcyclopropyl)methanol?
The IUPAC name of (3-methoxy-1,2-thiazol-5-yl)-(1-methylcyclopropyl)methanol (CID 126999968) is (3-methoxy-1,2-thiazol-5-yl)-(1-methylcyclopropyl)methanol.
What is the SMILES notation for (3-methoxy-1,2-thiazol-5-yl)-(1-methylcyclopropyl)methanol?
The canonical SMILES for (3-methoxy-1,2-thiazol-5-yl)-(1-methylcyclopropyl)methanol is COc1cc(C(O)C2(C)CC2)sn1.
What is the InChIKey of (3-methoxy-1,2-thiazol-5-yl)-(1-methylcyclopropyl)methanol?
The InChIKey is UGEWJOIDBZIZMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2S/c1-9(3-4-9)8(11)6-5-7(12-2)10-13-6/h5,8,11H,3-4H2,1-2H3.
What are the key properties of (3-methoxy-1,2-thiazol-5-yl)-(1-methylcyclopropyl)methanol?
(3-methoxy-1,2-thiazol-5-yl)-(1-methylcyclopropyl)methanol has a molecular weight of 199.28 g/mol, XLogP of 1.99, 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)-(1-methylcyclopropyl)methanol is sourced from PubChem (CID 126999968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).