2-amino-6-(2-amino-4-methyl-1,3-thiazol-5-yl)-4-[4-(3-hydroxyprop-1-ynyl)thiophen-2-yl]pyridine-3-carbonitrile

C17H13N5OS2 — CID 56868506

About 2-amino-6-(2-amino-4-methyl-1,3-thiazol-5-yl)-4-[4-(3-hydroxyprop-1-ynyl)thiophen-2-yl]pyridine-3-carbonitrile

2-amino-6-(2-amino-4-methyl-1,3-thiazol-5-yl)-4-[4-(3-hydroxyprop-1-ynyl)thiophen-2-yl]pyridine-3-carbonitrile (PubChem CID 56868506) has the molecular formula C17H13N5OS2 and a molecular weight of 367.46 g/mol. Its IUPAC name is 2-amino-6-(2-amino-4-methyl-1,3-thiazol-5-yl)-4-[4-(3-hydroxyprop-1-ynyl)thiophen-2-yl]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 2-amino-6-(2-amino-4-methyl-1,3-thiazol-5-yl)-4-[4-(3-hydroxyprop-1-ynyl)thiophen-2-yl]pyridine-3-carbonitrile
• PubChem CID: 56868506
• Molecular Formula: C17H13N5OS2
• Molecular Weight: 367.46 g/mol
• Exact Mass: 367.06
• IUPAC Name: 2-amino-6-(2-amino-4-methyl-1,3-thiazol-5-yl)-4-[4-(3-hydroxyprop-1-ynyl)thiophen-2-yl]pyridine-3-carbonitrile
• SMILES: Cc1nc(N)sc1-c1cc(-c2cc(C#CCO)cs2)c(C#N)c(N)n1
• InChI: InChI=1S/C17H13N5OS2/c1-9-15(25-17(20)21-9)13-6-11(12(7-18)16(19)22-13)14-5-10(8-24-14)3-2-4-23/h5-6,8,23H,4H2,1H3,(H2,19,22)(H2,20,21)
• InChIKey: ZPKUCURJPLSNBB-UHFFFAOYSA-N
• XLogP: 2.62
• TPSA: 121.84 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 2
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	367.46
LogP ≤ 5	2.62
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(2-amino-4-methyl-1,3-thiazol-5-yl)-4-[4-(3-hydroxyprop-1-ynyl)thiophen-2-yl]pyridine-3-carbonitrile?

The IUPAC name of 2-amino-6-(2-amino-4-methyl-1,3-thiazol-5-yl)-4-[4-(3-hydroxyprop-1-ynyl)thiophen-2-yl]pyridine-3-carbonitrile (CID 56868506) is 2-amino-6-(2-amino-4-methyl-1,3-thiazol-5-yl)-4-[4-(3-hydroxyprop-1-ynyl)thiophen-2-yl]pyridine-3-carbonitrile.

What is the SMILES notation for 2-amino-6-(2-amino-4-methyl-1,3-thiazol-5-yl)-4-[4-(3-hydroxyprop-1-ynyl)thiophen-2-yl]pyridine-3-carbonitrile?

The canonical SMILES for 2-amino-6-(2-amino-4-methyl-1,3-thiazol-5-yl)-4-[4-(3-hydroxyprop-1-ynyl)thiophen-2-yl]pyridine-3-carbonitrile is Cc1nc(N)sc1-c1cc(-c2cc(C#CCO)cs2)c(C#N)c(N)n1.

What is the InChIKey of 2-amino-6-(2-amino-4-methyl-1,3-thiazol-5-yl)-4-[4-(3-hydroxyprop-1-ynyl)thiophen-2-yl]pyridine-3-carbonitrile?

The InChIKey is ZPKUCURJPLSNBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5OS2/c1-9-15(25-17(20)21-9)13-6-11(12(7-18)16(19)22-13)14-5-10(8-24-14)3-2-4-23/h5-6,8,23H,4H2,1H3,(H2,19,22)(H2,20,21).

What are the key properties of 2-amino-6-(2-amino-4-methyl-1,3-thiazol-5-yl)-4-[4-(3-hydroxyprop-1-ynyl)thiophen-2-yl]pyridine-3-carbonitrile?

2-amino-6-(2-amino-4-methyl-1,3-thiazol-5-yl)-4-[4-(3-hydroxyprop-1-ynyl)thiophen-2-yl]pyridine-3-carbonitrile has a molecular weight of 367.46 g/mol, XLogP of 2.62, 2 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-6-(2-amino-4-methyl-1,3-thiazol-5-yl)-4-[4-(3-hydroxyprop-1-ynyl)thiophen-2-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 56868506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).