3-methyl-2-methylidene-1,3-benzothiazole-5-carbaldehyde

C10H9NOS — CID 2319777

IUPAC3-methyl-2-methylidene-1,3-benzothiazole-5-carbaldehyde
SMILESC=C1Sc2ccc(C=O)cc2N1C
InChIInChI=1S/C10H9NOS/c1-7-11(2)9-5-8(6-12)3-4-10(9)13-7/h3-6H,1H2,2H3
InChIKeyTZGDLPZCVTUMCI-UHFFFAOYSA-N
MW191.25 g/mol
LogP2.51
Rot. Bonds1

About 3-methyl-2-methylidene-1,3-benzothiazole-5-carbaldehyde

3-methyl-2-methylidene-1,3-benzothiazole-5-carbaldehyde (PubChem CID 2319777) has the molecular formula C10H9NOS and a molecular weight of 191.25 g/mol. Its IUPAC name is 3-methyl-2-methylidene-1,3-benzothiazole-5-carbaldehyde.

Molecular Properties

Compound Name3-methyl-2-methylidene-1,3-benzothiazole-5-carbaldehyde
PubChem CID2319777
Molecular FormulaC10H9NOS
Molecular Weight191.25 g/mol
Exact Mass191.04
IUPAC Name3-methyl-2-methylidene-1,3-benzothiazole-5-carbaldehyde
SMILESC=C1Sc2ccc(C=O)cc2N1C
InChIInChI=1S/C10H9NOS/c1-7-11(2)9-5-8(6-12)3-4-10(9)13-7/h3-6H,1H2,2H3
InChIKeyTZGDLPZCVTUMCI-UHFFFAOYSA-N
XLogP2.51
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-methylidene-1,3-benzothiazole-5-carbaldehyde?
The IUPAC name of 3-methyl-2-methylidene-1,3-benzothiazole-5-carbaldehyde (CID 2319777) is 3-methyl-2-methylidene-1,3-benzothiazole-5-carbaldehyde.
What is the SMILES notation for 3-methyl-2-methylidene-1,3-benzothiazole-5-carbaldehyde?
The canonical SMILES for 3-methyl-2-methylidene-1,3-benzothiazole-5-carbaldehyde is C=C1Sc2ccc(C=O)cc2N1C.
What is the InChIKey of 3-methyl-2-methylidene-1,3-benzothiazole-5-carbaldehyde?
The InChIKey is TZGDLPZCVTUMCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NOS/c1-7-11(2)9-5-8(6-12)3-4-10(9)13-7/h3-6H,1H2,2H3.
What are the key properties of 3-methyl-2-methylidene-1,3-benzothiazole-5-carbaldehyde?
3-methyl-2-methylidene-1,3-benzothiazole-5-carbaldehyde has a molecular weight of 191.25 g/mol, XLogP of 2.51, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-methylidene-1,3-benzothiazole-5-carbaldehyde is sourced from PubChem (CID 2319777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).