3-(3-methoxy-1,2-thiazol-5-yl)butan-2-ol

C8H13NO2S — CID 126999941

IUPAC3-(3-methoxy-1,2-thiazol-5-yl)butan-2-ol
SMILESCOc1cc(C(C)C(C)O)sn1
InChIInChI=1S/C8H13NO2S/c1-5(6(2)10)7-4-8(11-3)9-12-7/h4-6,10H,1-3H3
InChIKeyAWCOMLZHKYQDLE-UHFFFAOYSA-N
MW187.26 g/mol
LogP1.64
Rot. Bonds3

About 3-(3-methoxy-1,2-thiazol-5-yl)butan-2-ol

3-(3-methoxy-1,2-thiazol-5-yl)butan-2-ol (PubChem CID 126999941) has the molecular formula C8H13NO2S and a molecular weight of 187.26 g/mol. Its IUPAC name is 3-(3-methoxy-1,2-thiazol-5-yl)butan-2-ol.

Molecular Properties

Compound Name3-(3-methoxy-1,2-thiazol-5-yl)butan-2-ol
PubChem CID126999941
Molecular FormulaC8H13NO2S
Molecular Weight187.26 g/mol
Exact Mass187.07
IUPAC Name3-(3-methoxy-1,2-thiazol-5-yl)butan-2-ol
SMILESCOc1cc(C(C)C(C)O)sn1
InChIInChI=1S/C8H13NO2S/c1-5(6(2)10)7-4-8(11-3)9-12-7/h4-6,10H,1-3H3
InChIKeyAWCOMLZHKYQDLE-UHFFFAOYSA-N
XLogP1.64
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.26
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxy-1,2-thiazol-5-yl)butan-2-ol?
The IUPAC name of 3-(3-methoxy-1,2-thiazol-5-yl)butan-2-ol (CID 126999941) is 3-(3-methoxy-1,2-thiazol-5-yl)butan-2-ol.
What is the SMILES notation for 3-(3-methoxy-1,2-thiazol-5-yl)butan-2-ol?
The canonical SMILES for 3-(3-methoxy-1,2-thiazol-5-yl)butan-2-ol is COc1cc(C(C)C(C)O)sn1.
What is the InChIKey of 3-(3-methoxy-1,2-thiazol-5-yl)butan-2-ol?
The InChIKey is AWCOMLZHKYQDLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2S/c1-5(6(2)10)7-4-8(11-3)9-12-7/h4-6,10H,1-3H3.
What are the key properties of 3-(3-methoxy-1,2-thiazol-5-yl)butan-2-ol?
3-(3-methoxy-1,2-thiazol-5-yl)butan-2-ol has a molecular weight of 187.26 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxy-1,2-thiazol-5-yl)butan-2-ol is sourced from PubChem (CID 126999941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).