6-methylcyclohepta[d][1,3]thiazole-6-carbaldehyde

C10H9NOS — CID 143058959

IUPAC6-methylcyclohepta[d][1,3]thiazole-6-carbaldehyde
SMILESCC1(C=O)C=Cc2ncsc2C=C1
InChIInChI=1S/C10H9NOS/c1-10(6-12)4-2-8-9(3-5-10)13-7-11-8/h2-7H,1H3
InChIKeyDQHVUCSGAATFKP-UHFFFAOYSA-N
MW191.25 g/mol
LogP2.39
Rot. Bonds1

About 6-methylcyclohepta[d][1,3]thiazole-6-carbaldehyde

6-methylcyclohepta[d][1,3]thiazole-6-carbaldehyde (PubChem CID 143058959) has the molecular formula C10H9NOS and a molecular weight of 191.25 g/mol. Its IUPAC name is 6-methylcyclohepta[d][1,3]thiazole-6-carbaldehyde.

Molecular Properties

Compound Name6-methylcyclohepta[d][1,3]thiazole-6-carbaldehyde
PubChem CID143058959
Molecular FormulaC10H9NOS
Molecular Weight191.25 g/mol
Exact Mass191.04
IUPAC Name6-methylcyclohepta[d][1,3]thiazole-6-carbaldehyde
SMILESCC1(C=O)C=Cc2ncsc2C=C1
InChIInChI=1S/C10H9NOS/c1-10(6-12)4-2-8-9(3-5-10)13-7-11-8/h2-7H,1H3
InChIKeyDQHVUCSGAATFKP-UHFFFAOYSA-N
XLogP2.39
TPSA29.96 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 ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-methylcyclohepta[d][1,3]thiazole-6-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-methylcyclohepta[d][1,3]thiazole-6-carbaldehyde?
The IUPAC name of 6-methylcyclohepta[d][1,3]thiazole-6-carbaldehyde (CID 143058959) is 6-methylcyclohepta[d][1,3]thiazole-6-carbaldehyde.
What is the SMILES notation for 6-methylcyclohepta[d][1,3]thiazole-6-carbaldehyde?
The canonical SMILES for 6-methylcyclohepta[d][1,3]thiazole-6-carbaldehyde is CC1(C=O)C=Cc2ncsc2C=C1.
What is the InChIKey of 6-methylcyclohepta[d][1,3]thiazole-6-carbaldehyde?
The InChIKey is DQHVUCSGAATFKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NOS/c1-10(6-12)4-2-8-9(3-5-10)13-7-11-8/h2-7H,1H3.
What are the key properties of 6-methylcyclohepta[d][1,3]thiazole-6-carbaldehyde?
6-methylcyclohepta[d][1,3]thiazole-6-carbaldehyde has a molecular weight of 191.25 g/mol, XLogP of 2.39, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylcyclohepta[d][1,3]thiazole-6-carbaldehyde is sourced from PubChem (CID 143058959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).