5-(2-propan-2-yl-1,3-benzothiazol-6-yl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine

C18H24N6S — CID 169376979

About 5-(2-propan-2-yl-1,3-benzothiazol-6-yl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine

5-(2-propan-2-yl-1,3-benzothiazol-6-yl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine (PubChem CID 169376979) has the molecular formula C18H24N6S and a molecular weight of 356.50 g/mol. Its IUPAC name is 5-(2-propan-2-yl-1,3-benzothiazol-6-yl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine.

Molecular Properties

• Compound Name: 5-(2-propan-2-yl-1,3-benzothiazol-6-yl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
• PubChem CID: 169376979
• Molecular Formula: C18H24N6S
• Molecular Weight: 356.50 g/mol
• Exact Mass: 356.18
• IUPAC Name: 5-(2-propan-2-yl-1,3-benzothiazol-6-yl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
• SMILES: CC(C)c1nc2ccc(N3C(N)=NC(N)=NC34CCCCC4)cc2s1
• InChI: InChI=1S/C18H24N6S/c1-11(2)15-21-13-7-6-12(10-14(13)25-15)24-17(20)22-16(19)23-18(24)8-4-3-5-9-18/h6-7,10-11H,3-5,8-9H2,1-2H3,(H4,19,20,22,23)
• InChIKey: ZNKYGFLQHSIUDJ-UHFFFAOYSA-N
• XLogP: 3.53
• TPSA: 92.89 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 2
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	356.50
LogP ≤ 5	3.53
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-(2-propan-2-yl-1,3-benzothiazol-6-yl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine?

The IUPAC name of 5-(2-propan-2-yl-1,3-benzothiazol-6-yl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine (CID 169376979) is 5-(2-propan-2-yl-1,3-benzothiazol-6-yl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine.

What is the SMILES notation for 5-(2-propan-2-yl-1,3-benzothiazol-6-yl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine?

The canonical SMILES for 5-(2-propan-2-yl-1,3-benzothiazol-6-yl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine is CC(C)c1nc2ccc(N3C(N)=NC(N)=NC34CCCCC4)cc2s1.

What is the InChIKey of 5-(2-propan-2-yl-1,3-benzothiazol-6-yl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine?

The InChIKey is ZNKYGFLQHSIUDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6S/c1-11(2)15-21-13-7-6-12(10-14(13)25-15)24-17(20)22-16(19)23-18(24)8-4-3-5-9-18/h6-7,10-11H,3-5,8-9H2,1-2H3,(H4,19,20,22,23).

What are the key properties of 5-(2-propan-2-yl-1,3-benzothiazol-6-yl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine?

5-(2-propan-2-yl-1,3-benzothiazol-6-yl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine has a molecular weight of 356.50 g/mol, XLogP of 3.53, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2-propan-2-yl-1,3-benzothiazol-6-yl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine is sourced from PubChem (CID 169376979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).