(4-methyl-2,3-dihydro-1,3-thiazol-2-yl)methanol

C5H9NOS — CID 129112389

IUPAC(4-methyl-2,3-dihydro-1,3-thiazol-2-yl)methanol
SMILESCC1=CSC(CO)N1
InChIInChI=1S/C5H9NOS/c1-4-3-8-5(2-7)6-4/h3,5-7H,2H2,1H3
InChIKeyOQLDSDARQWRENX-UHFFFAOYSA-N
MW131.20 g/mol
LogP0.50
Rot. Bonds1

About (4-methyl-2,3-dihydro-1,3-thiazol-2-yl)methanol

(4-methyl-2,3-dihydro-1,3-thiazol-2-yl)methanol (PubChem CID 129112389) has the molecular formula C5H9NOS and a molecular weight of 131.20 g/mol. Its IUPAC name is (4-methyl-2,3-dihydro-1,3-thiazol-2-yl)methanol.

Molecular Properties

Compound Name(4-methyl-2,3-dihydro-1,3-thiazol-2-yl)methanol
PubChem CID129112389
Molecular FormulaC5H9NOS
Molecular Weight131.20 g/mol
Exact Mass131.04
IUPAC Name(4-methyl-2,3-dihydro-1,3-thiazol-2-yl)methanol
SMILESCC1=CSC(CO)N1
InChIInChI=1S/C5H9NOS/c1-4-3-8-5(2-7)6-4/h3,5-7H,2H2,1H3
InChIKeyOQLDSDARQWRENX-UHFFFAOYSA-N
XLogP0.50
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.20
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-methyl-2,3-dihydro-1,3-thiazol-2-yl)methanol?
The IUPAC name of (4-methyl-2,3-dihydro-1,3-thiazol-2-yl)methanol (CID 129112389) is (4-methyl-2,3-dihydro-1,3-thiazol-2-yl)methanol.
What is the SMILES notation for (4-methyl-2,3-dihydro-1,3-thiazol-2-yl)methanol?
The canonical SMILES for (4-methyl-2,3-dihydro-1,3-thiazol-2-yl)methanol is CC1=CSC(CO)N1.
What is the InChIKey of (4-methyl-2,3-dihydro-1,3-thiazol-2-yl)methanol?
The InChIKey is OQLDSDARQWRENX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NOS/c1-4-3-8-5(2-7)6-4/h3,5-7H,2H2,1H3.
What are the key properties of (4-methyl-2,3-dihydro-1,3-thiazol-2-yl)methanol?
(4-methyl-2,3-dihydro-1,3-thiazol-2-yl)methanol has a molecular weight of 131.20 g/mol, XLogP of 0.50, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-2,3-dihydro-1,3-thiazol-2-yl)methanol is sourced from PubChem (CID 129112389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).