(3-methyl-1,3-thiazol-2-ylidene)methanol

C5H7NOS — CID 71338685

IUPAC(3-methyl-1,3-thiazol-2-ylidene)methanol
SMILESCN1C=CSC1=CO
InChIInChI=1S/C5H7NOS/c1-6-2-3-8-5(6)4-7/h2-4,7H,1H3
InChIKeyPDSCZIVLFQKTQM-UHFFFAOYSA-N
MW129.18 g/mol
LogP1.49
Rot. Bonds

About (3-methyl-1,3-thiazol-2-ylidene)methanol

(3-methyl-1,3-thiazol-2-ylidene)methanol (PubChem CID 71338685) has the molecular formula C5H7NOS and a molecular weight of 129.18 g/mol. Its IUPAC name is (3-methyl-1,3-thiazol-2-ylidene)methanol.

Molecular Properties

Compound Name(3-methyl-1,3-thiazol-2-ylidene)methanol
PubChem CID71338685
Molecular FormulaC5H7NOS
Molecular Weight129.18 g/mol
Exact Mass129.02
IUPAC Name(3-methyl-1,3-thiazol-2-ylidene)methanol
SMILESCN1C=CSC1=CO
InChIInChI=1S/C5H7NOS/c1-6-2-3-8-5(6)4-7/h2-4,7H,1H3
InChIKeyPDSCZIVLFQKTQM-UHFFFAOYSA-N
XLogP1.49
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.18
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

3-Hydroxyethylthiazole
CID 67246786
3-(1-Hydroxyethyl)-1,3-thiazol-2-one
CID 17980711
2H-1,3-thiazol-3-ylmethanol
CID 21611289
3-(2H-1,3-thiazol-3-yl)propan-1-ol
CID 22419322
3-(Hydroxymethyl)-1,3-thiazole-2-thione
CID 53996894
2-ethoxy-3-methyl-2H-1,3-thiazole
CID 68943823
(2-chloro-2H-1,3-thiazol-3-yl)methanol
CID 140241642
3-Ethyl-2-methyl-1,3-thiazol-2-ol
CID 140496305
3-(2-Hydroxyethyl)-1,3-thiazole-2-thione
CID 141188624
3-(2-Hydroxyethenyl)-1,3-thiazole-2-thione
CID 141188626
1-(2H-1,3-thiazol-3-yl)propan-1-ol
CID 173056292
1-(2H-1,3-thiazol-3-yl)ethanol
CID 173056379

Frequently Asked Questions

What is the IUPAC name of (3-methyl-1,3-thiazol-2-ylidene)methanol?
The IUPAC name of (3-methyl-1,3-thiazol-2-ylidene)methanol (CID 71338685) is (3-methyl-1,3-thiazol-2-ylidene)methanol.
What is the SMILES notation for (3-methyl-1,3-thiazol-2-ylidene)methanol?
The canonical SMILES for (3-methyl-1,3-thiazol-2-ylidene)methanol is CN1C=CSC1=CO.
What is the InChIKey of (3-methyl-1,3-thiazol-2-ylidene)methanol?
The InChIKey is PDSCZIVLFQKTQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NOS/c1-6-2-3-8-5(6)4-7/h2-4,7H,1H3.
What are the key properties of (3-methyl-1,3-thiazol-2-ylidene)methanol?
(3-methyl-1,3-thiazol-2-ylidene)methanol has a molecular weight of 129.18 g/mol, XLogP of 1.49, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1,3-thiazol-2-ylidene)methanol is sourced from PubChem (CID 71338685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).