4-[[2-[(3-methyl-1,2-thiazol-5-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexane-1-carbaldehyde

C17H19N5OS2 — CID 135128194

About 4-[[2-[(3-methyl-1,2-thiazol-5-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexane-1-carbaldehyde

4-[[2-[(3-methyl-1,2-thiazol-5-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexane-1-carbaldehyde (PubChem CID 135128194) has the molecular formula C17H19N5OS2 and a molecular weight of 373.51 g/mol. Its IUPAC name is 4-[[2-[(3-methyl-1,2-thiazol-5-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexane-1-carbaldehyde.

Molecular Properties

• Compound Name: 4-[[2-[(3-methyl-1,2-thiazol-5-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexane-1-carbaldehyde
• PubChem CID: 135128194
• Molecular Formula: C17H19N5OS2
• Molecular Weight: 373.51 g/mol
• Exact Mass: 373.10
• IUPAC Name: 4-[[2-[(3-methyl-1,2-thiazol-5-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexane-1-carbaldehyde
• SMILES: Cc1cc(Nc2nc(NC3CCC(C=O)CC3)c3sccc3n2)sn1
• InChI: InChI=1S/C17H19N5OS2/c1-10-8-14(25-22-10)20-17-19-13-6-7-24-15(13)16(21-17)18-12-4-2-11(9-23)3-5-12/h6-9,11-12H,2-5H2,1H3,(H2,18,19,20,21)
• InChIKey: WNYQUTYLNUGQKP-UHFFFAOYSA-N
• XLogP: 4.37
• TPSA: 79.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	373.51
LogP ≤ 5	4.37
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(3-methyl-1,2-thiazol-5-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexane-1-carbaldehyde?

The IUPAC name of 4-[[2-[(3-methyl-1,2-thiazol-5-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexane-1-carbaldehyde (CID 135128194) is 4-[[2-[(3-methyl-1,2-thiazol-5-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexane-1-carbaldehyde.

What is the SMILES notation for 4-[[2-[(3-methyl-1,2-thiazol-5-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexane-1-carbaldehyde?

The canonical SMILES for 4-[[2-[(3-methyl-1,2-thiazol-5-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexane-1-carbaldehyde is Cc1cc(Nc2nc(NC3CCC(C=O)CC3)c3sccc3n2)sn1.

What is the InChIKey of 4-[[2-[(3-methyl-1,2-thiazol-5-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexane-1-carbaldehyde?

The InChIKey is WNYQUTYLNUGQKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5OS2/c1-10-8-14(25-22-10)20-17-19-13-6-7-24-15(13)16(21-17)18-12-4-2-11(9-23)3-5-12/h6-9,11-12H,2-5H2,1H3,(H2,18,19,20,21).

What are the key properties of 4-[[2-[(3-methyl-1,2-thiazol-5-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexane-1-carbaldehyde?

4-[[2-[(3-methyl-1,2-thiazol-5-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexane-1-carbaldehyde has a molecular weight of 373.51 g/mol, XLogP of 4.37, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[2-[(3-methyl-1,2-thiazol-5-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexane-1-carbaldehyde is sourced from PubChem (CID 135128194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).