2-[(5E)-5-[(3,8-dimethyl-5-propan-2-ylazulen-1-yl)methylidene]-4-methyl-1,3-thiazol-2-ylidene]propanedinitrile

C23H21N3S — CID 132562937

About 2-[(5E)-5-[(3,8-dimethyl-5-propan-2-ylazulen-1-yl)methylidene]-4-methyl-1,3-thiazol-2-ylidene]propanedinitrile

2-[(5E)-5-[(3,8-dimethyl-5-propan-2-ylazulen-1-yl)methylidene]-4-methyl-1,3-thiazol-2-ylidene]propanedinitrile (PubChem CID 132562937) has the molecular formula C23H21N3S and a molecular weight of 371.51 g/mol. Its IUPAC name is 2-[(5E)-5-[(3,8-dimethyl-5-propan-2-ylazulen-1-yl)methylidene]-4-methyl-1,3-thiazol-2-ylidene]propanedinitrile.

Molecular Properties

• Compound Name: 2-[(5E)-5-[(3,8-dimethyl-5-propan-2-ylazulen-1-yl)methylidene]-4-methyl-1,3-thiazol-2-ylidene]propanedinitrile
• PubChem CID: 132562937
• Molecular Formula: C23H21N3S
• Molecular Weight: 371.51 g/mol
• Exact Mass: 371.15
• IUPAC Name: 2-[(5E)-5-[(3,8-dimethyl-5-propan-2-ylazulen-1-yl)methylidene]-4-methyl-1,3-thiazol-2-ylidene]propanedinitrile
• SMILES: Cc1cc(/C=c2/sc(=C(C#N)C#N)nc2C)c2c(C)ccc(C(C)C)cc1-2
• InChI: InChI=1S/C23H21N3S/c1-13(2)17-7-6-14(3)22-18(8-15(4)20(22)9-17)10-21-16(5)26-23(27-21)19(11-24)12-25/h6-10,13H,1-5H3/b21-10+
• InChIKey: YDEYPZASXRWQCJ-UFFVCSGVSA-N
• XLogP: 4.32
• TPSA: 60.47 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	371.51
LogP ≤ 5	4.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[(5E)-5-[(3,8-dimethyl-5-propan-2-ylazulen-1-yl)methylidene]-4-methyl-1,3-thiazol-2-ylidene]propanedinitrile?

The IUPAC name of 2-[(5E)-5-[(3,8-dimethyl-5-propan-2-ylazulen-1-yl)methylidene]-4-methyl-1,3-thiazol-2-ylidene]propanedinitrile (CID 132562937) is 2-[(5E)-5-[(3,8-dimethyl-5-propan-2-ylazulen-1-yl)methylidene]-4-methyl-1,3-thiazol-2-ylidene]propanedinitrile.

What is the SMILES notation for 2-[(5E)-5-[(3,8-dimethyl-5-propan-2-ylazulen-1-yl)methylidene]-4-methyl-1,3-thiazol-2-ylidene]propanedinitrile?

The canonical SMILES for 2-[(5E)-5-[(3,8-dimethyl-5-propan-2-ylazulen-1-yl)methylidene]-4-methyl-1,3-thiazol-2-ylidene]propanedinitrile is Cc1cc(/C=c2/sc(=C(C#N)C#N)nc2C)c2c(C)ccc(C(C)C)cc1-2.

What is the InChIKey of 2-[(5E)-5-[(3,8-dimethyl-5-propan-2-ylazulen-1-yl)methylidene]-4-methyl-1,3-thiazol-2-ylidene]propanedinitrile?

The InChIKey is YDEYPZASXRWQCJ-UFFVCSGVSA-N. The full InChI is InChI=1S/C23H21N3S/c1-13(2)17-7-6-14(3)22-18(8-15(4)20(22)9-17)10-21-16(5)26-23(27-21)19(11-24)12-25/h6-10,13H,1-5H3/b21-10+.

What are the key properties of 2-[(5E)-5-[(3,8-dimethyl-5-propan-2-ylazulen-1-yl)methylidene]-4-methyl-1,3-thiazol-2-ylidene]propanedinitrile?

2-[(5E)-5-[(3,8-dimethyl-5-propan-2-ylazulen-1-yl)methylidene]-4-methyl-1,3-thiazol-2-ylidene]propanedinitrile has a molecular weight of 371.51 g/mol, XLogP of 4.32, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(5E)-5-[(3,8-dimethyl-5-propan-2-ylazulen-1-yl)methylidene]-4-methyl-1,3-thiazol-2-ylidene]propanedinitrile is sourced from PubChem (CID 132562937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).