[4-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)phenyl]-thiophen-2-ylmethanol

C19H23N5OS — CID 169374265

About [4-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)phenyl]-thiophen-2-ylmethanol

[4-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)phenyl]-thiophen-2-ylmethanol (PubChem CID 169374265) has the molecular formula C19H23N5OS and a molecular weight of 369.49 g/mol. Its IUPAC name is [4-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)phenyl]-thiophen-2-ylmethanol.

Molecular Properties

• Compound Name: [4-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)phenyl]-thiophen-2-ylmethanol
• PubChem CID: 169374265
• Molecular Formula: C19H23N5OS
• Molecular Weight: 369.49 g/mol
• Exact Mass: 369.16
• IUPAC Name: [4-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)phenyl]-thiophen-2-ylmethanol
• SMILES: NC1=NC2(CCCCC2)N(c2ccc(C(O)c3cccs3)cc2)C(N)=N1
• InChI: InChI=1S/C19H23N5OS/c20-17-22-18(21)24(19(23-17)10-2-1-3-11-19)14-8-6-13(7-9-14)16(25)15-5-4-12-26-15/h4-9,12,16,25H,1-3,10-11H2,(H4,20,21,22,23)
• InChIKey: HKAZDUCNUFMFKB-UHFFFAOYSA-N
• XLogP: 2.94
• TPSA: 100.23 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	369.49
LogP ≤ 5	2.94
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [4-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)phenyl]-thiophen-2-ylmethanol?

The IUPAC name of [4-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)phenyl]-thiophen-2-ylmethanol (CID 169374265) is [4-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)phenyl]-thiophen-2-ylmethanol.

What is the SMILES notation for [4-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)phenyl]-thiophen-2-ylmethanol?

The canonical SMILES for [4-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)phenyl]-thiophen-2-ylmethanol is NC1=NC2(CCCCC2)N(c2ccc(C(O)c3cccs3)cc2)C(N)=N1.

What is the InChIKey of [4-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)phenyl]-thiophen-2-ylmethanol?

The InChIKey is HKAZDUCNUFMFKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5OS/c20-17-22-18(21)24(19(23-17)10-2-1-3-11-19)14-8-6-13(7-9-14)16(25)15-5-4-12-26-15/h4-9,12,16,25H,1-3,10-11H2,(H4,20,21,22,23).

What are the key properties of [4-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)phenyl]-thiophen-2-ylmethanol?

[4-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)phenyl]-thiophen-2-ylmethanol has a molecular weight of 369.49 g/mol, XLogP of 2.94, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)phenyl]-thiophen-2-ylmethanol is sourced from PubChem (CID 169374265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).