5-methyl-4,5-dihydro-1,3-thiazol-4-ol

C4H7NOS — CID 70067896

IUPAC5-methyl-4,5-dihydro-1,3-thiazol-4-ol
SMILESCC1SC=NC1O
InChIInChI=1S/C4H7NOS/c1-3-4(6)5-2-7-3/h2-4,6H,1H3
InChIKeyXHQJDRCVNPTUCC-UHFFFAOYSA-N
MW117.17 g/mol
LogP0.47
Rot. Bonds

About 5-methyl-4,5-dihydro-1,3-thiazol-4-ol

5-methyl-4,5-dihydro-1,3-thiazol-4-ol (PubChem CID 70067896) has the molecular formula C4H7NOS and a molecular weight of 117.17 g/mol. Its IUPAC name is 5-methyl-4,5-dihydro-1,3-thiazol-4-ol.

Molecular Properties

Compound Name5-methyl-4,5-dihydro-1,3-thiazol-4-ol
PubChem CID70067896
Molecular FormulaC4H7NOS
Molecular Weight117.17 g/mol
Exact Mass117.02
IUPAC Name5-methyl-4,5-dihydro-1,3-thiazol-4-ol
SMILESCC1SC=NC1O
InChIInChI=1S/C4H7NOS/c1-3-4(6)5-2-7-3/h2-4,6H,1H3
InChIKeyXHQJDRCVNPTUCC-UHFFFAOYSA-N
XLogP0.47
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.17
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4,5-dihydro-1,3-thiazol-4-ol?
The IUPAC name of 5-methyl-4,5-dihydro-1,3-thiazol-4-ol (CID 70067896) is 5-methyl-4,5-dihydro-1,3-thiazol-4-ol.
What is the SMILES notation for 5-methyl-4,5-dihydro-1,3-thiazol-4-ol?
The canonical SMILES for 5-methyl-4,5-dihydro-1,3-thiazol-4-ol is CC1SC=NC1O.
What is the InChIKey of 5-methyl-4,5-dihydro-1,3-thiazol-4-ol?
The InChIKey is XHQJDRCVNPTUCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NOS/c1-3-4(6)5-2-7-3/h2-4,6H,1H3.
What are the key properties of 5-methyl-4,5-dihydro-1,3-thiazol-4-ol?
5-methyl-4,5-dihydro-1,3-thiazol-4-ol has a molecular weight of 117.17 g/mol, XLogP of 0.47, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4,5-dihydro-1,3-thiazol-4-ol is sourced from PubChem (CID 70067896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).