4-tert-butyl-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1,3-thiazole-5-carbaldehyde

C16H20N2OS2 — CID 62765939

About 4-tert-butyl-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1,3-thiazole-5-carbaldehyde

4-tert-butyl-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1,3-thiazole-5-carbaldehyde (PubChem CID 62765939) has the molecular formula C16H20N2OS2 and a molecular weight of 320.48 g/mol. Its IUPAC name is 4-tert-butyl-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1,3-thiazole-5-carbaldehyde.

Molecular Properties

• Compound Name: 4-tert-butyl-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1,3-thiazole-5-carbaldehyde
• PubChem CID: 62765939
• Molecular Formula: C16H20N2OS2
• Molecular Weight: 320.48 g/mol
• Exact Mass: 320.10
• IUPAC Name: 4-tert-butyl-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1,3-thiazole-5-carbaldehyde
• SMILES: CC1c2ccsc2CCN1c1nc(C(C)(C)C)c(C=O)s1
• InChI: InChI=1S/C16H20N2OS2/c1-10-11-6-8-20-12(11)5-7-18(10)15-17-14(16(2,3)4)13(9-19)21-15/h6,8-10H,5,7H2,1-4H3
• InChIKey: VNFQAQCJSZNWDQ-UHFFFAOYSA-N
• XLogP: 4.44
• TPSA: 33.20 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	320.48
LogP ≤ 5	4.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1,3-thiazole-5-carbaldehyde?

The IUPAC name of 4-tert-butyl-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1,3-thiazole-5-carbaldehyde (CID 62765939) is 4-tert-butyl-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1,3-thiazole-5-carbaldehyde.

What is the SMILES notation for 4-tert-butyl-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1,3-thiazole-5-carbaldehyde?

The canonical SMILES for 4-tert-butyl-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1,3-thiazole-5-carbaldehyde is CC1c2ccsc2CCN1c1nc(C(C)(C)C)c(C=O)s1.

What is the InChIKey of 4-tert-butyl-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1,3-thiazole-5-carbaldehyde?

The InChIKey is VNFQAQCJSZNWDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS2/c1-10-11-6-8-20-12(11)5-7-18(10)15-17-14(16(2,3)4)13(9-19)21-15/h6,8-10H,5,7H2,1-4H3.

What are the key properties of 4-tert-butyl-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1,3-thiazole-5-carbaldehyde?

4-tert-butyl-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1,3-thiazole-5-carbaldehyde has a molecular weight of 320.48 g/mol, XLogP of 4.44, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-tert-butyl-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 62765939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).