[2-(cyclopropylamino)-2-oxoethyl]-[2-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxoethyl]-methylazanium

C17H23N4O2S+ — CID 8909636

About [2-(cyclopropylamino)-2-oxoethyl]-[2-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxoethyl]-methylazanium

[2-(cyclopropylamino)-2-oxoethyl]-[2-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxoethyl]-methylazanium (PubChem CID 8909636) has the molecular formula C17H23N4O2S+ and a molecular weight of 347.46 g/mol. Its IUPAC name is [2-(cyclopropylamino)-2-oxoethyl]-[2-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxoethyl]-methylazanium.

Molecular Properties

• Compound Name: [2-(cyclopropylamino)-2-oxoethyl]-[2-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxoethyl]-methylazanium
• PubChem CID: 8909636
• Molecular Formula: C17H23N4O2S+
• Molecular Weight: 347.46 g/mol
• Exact Mass: 347.15
• IUPAC Name: [2-(cyclopropylamino)-2-oxoethyl]-[2-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxoethyl]-methylazanium
• SMILES: Cc1cc(C(=O)C[NH+](C)CC(=O)NC2CC2)c(C)n1-c1nccs1
• InChI: InChI=1S/C17H22N4O2S/c1-11-8-14(12(2)21(11)17-18-6-7-24-17)15(22)9-20(3)10-16(23)19-13-4-5-13/h6-8,13H,4-5,9-10H2,1-3H3,(H,19,23)/p+1
• InChIKey: DOQLGNQZXCNSHQ-UHFFFAOYSA-O
• XLogP: 0.53
• TPSA: 68.43 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	347.46
LogP ≤ 5	0.53
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylamino)-2-oxoethyl]-[2-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxoethyl]-methylazanium?

The IUPAC name of [2-(cyclopropylamino)-2-oxoethyl]-[2-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxoethyl]-methylazanium (CID 8909636) is [2-(cyclopropylamino)-2-oxoethyl]-[2-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxoethyl]-methylazanium.

What is the SMILES notation for [2-(cyclopropylamino)-2-oxoethyl]-[2-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxoethyl]-methylazanium?

The canonical SMILES for [2-(cyclopropylamino)-2-oxoethyl]-[2-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxoethyl]-methylazanium is Cc1cc(C(=O)C[NH+](C)CC(=O)NC2CC2)c(C)n1-c1nccs1.

What is the InChIKey of [2-(cyclopropylamino)-2-oxoethyl]-[2-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxoethyl]-methylazanium?

The InChIKey is DOQLGNQZXCNSHQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H22N4O2S/c1-11-8-14(12(2)21(11)17-18-6-7-24-17)15(22)9-20(3)10-16(23)19-13-4-5-13/h6-8,13H,4-5,9-10H2,1-3H3,(H,19,23)/p+1.

What are the key properties of [2-(cyclopropylamino)-2-oxoethyl]-[2-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxoethyl]-methylazanium?

[2-(cyclopropylamino)-2-oxoethyl]-[2-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxoethyl]-methylazanium has a molecular weight of 347.46 g/mol, XLogP of 0.53, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(cyclopropylamino)-2-oxoethyl]-[2-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxoethyl]-methylazanium is sourced from PubChem (CID 8909636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).