1-methyl-5-[2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octane-6-carbonyl]pyrrole-3-carbonitrile

C19H23N5OS — CID 128974925

About 1-methyl-5-[2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octane-6-carbonyl]pyrrole-3-carbonitrile

1-methyl-5-[2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octane-6-carbonyl]pyrrole-3-carbonitrile (PubChem CID 128974925) has the molecular formula C19H23N5OS and a molecular weight of 369.49 g/mol. Its IUPAC name is 1-methyl-5-[2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octane-6-carbonyl]pyrrole-3-carbonitrile.

Molecular Properties

• Compound Name: 1-methyl-5-[2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octane-6-carbonyl]pyrrole-3-carbonitrile
• PubChem CID: 128974925
• Molecular Formula: C19H23N5OS
• Molecular Weight: 369.49 g/mol
• Exact Mass: 369.16
• IUPAC Name: 1-methyl-5-[2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octane-6-carbonyl]pyrrole-3-carbonitrile
• SMILES: CN(Cc1nccs1)C1CC12CCN(C(=O)c1cc(C#N)cn1C)CC2
• InChI: InChI=1S/C19H23N5OS/c1-22-12-14(11-20)9-15(22)18(25)24-6-3-19(4-7-24)10-16(19)23(2)13-17-21-5-8-26-17/h5,8-9,12,16H,3-4,6-7,10,13H2,1-2H3
• InChIKey: GBVPZIBCBBTFJN-UHFFFAOYSA-N
• XLogP: 2.48
• TPSA: 65.16 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	369.49
LogP ≤ 5	2.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octane-6-carbonyl]pyrrole-3-carbonitrile?

The IUPAC name of 1-methyl-5-[2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octane-6-carbonyl]pyrrole-3-carbonitrile (CID 128974925) is 1-methyl-5-[2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octane-6-carbonyl]pyrrole-3-carbonitrile.

What is the SMILES notation for 1-methyl-5-[2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octane-6-carbonyl]pyrrole-3-carbonitrile?

The canonical SMILES for 1-methyl-5-[2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octane-6-carbonyl]pyrrole-3-carbonitrile is CN(Cc1nccs1)C1CC12CCN(C(=O)c1cc(C#N)cn1C)CC2.

What is the InChIKey of 1-methyl-5-[2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octane-6-carbonyl]pyrrole-3-carbonitrile?

The InChIKey is GBVPZIBCBBTFJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5OS/c1-22-12-14(11-20)9-15(22)18(25)24-6-3-19(4-7-24)10-16(19)23(2)13-17-21-5-8-26-17/h5,8-9,12,16H,3-4,6-7,10,13H2,1-2H3.

What are the key properties of 1-methyl-5-[2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octane-6-carbonyl]pyrrole-3-carbonitrile?

1-methyl-5-[2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octane-6-carbonyl]pyrrole-3-carbonitrile has a molecular weight of 369.49 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-5-[2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octane-6-carbonyl]pyrrole-3-carbonitrile is sourced from PubChem (CID 128974925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).