N-[4-[2-oxo-2-[2-(6-oxopyridazin-1-yl)ethylamino]ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide

C16H15N5O3S2 — CID 45497679

About N-[4-[2-oxo-2-[2-(6-oxopyridazin-1-yl)ethylamino]ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide

N-[4-[2-oxo-2-[2-(6-oxopyridazin-1-yl)ethylamino]ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide (PubChem CID 45497679) has the molecular formula C16H15N5O3S2 and a molecular weight of 389.46 g/mol. Its IUPAC name is N-[4-[2-oxo-2-[2-(6-oxopyridazin-1-yl)ethylamino]ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-[2-oxo-2-[2-(6-oxopyridazin-1-yl)ethylamino]ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
• PubChem CID: 45497679
• Molecular Formula: C16H15N5O3S2
• Molecular Weight: 389.46 g/mol
• Exact Mass: 389.06
• IUPAC Name: N-[4-[2-oxo-2-[2-(6-oxopyridazin-1-yl)ethylamino]ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
• SMILES: O=C(Cc1csc(NC(=O)c2cccs2)n1)NCCn1ncccc1=O
• InChI: InChI=1S/C16H15N5O3S2/c22-13(17-6-7-21-14(23)4-1-5-18-21)9-11-10-26-16(19-11)20-15(24)12-3-2-8-25-12/h1-5,8,10H,6-7,9H2,(H,17,22)(H,19,20,24)
• InChIKey: KQBAGPVPDDAMSQ-UHFFFAOYSA-N
• XLogP: 1.37
• TPSA: 105.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	389.46
LogP ≤ 5	1.37
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-oxo-2-[2-(6-oxopyridazin-1-yl)ethylamino]ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide?

The IUPAC name of N-[4-[2-oxo-2-[2-(6-oxopyridazin-1-yl)ethylamino]ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide (CID 45497679) is N-[4-[2-oxo-2-[2-(6-oxopyridazin-1-yl)ethylamino]ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide.

What is the SMILES notation for N-[4-[2-oxo-2-[2-(6-oxopyridazin-1-yl)ethylamino]ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide?

The canonical SMILES for N-[4-[2-oxo-2-[2-(6-oxopyridazin-1-yl)ethylamino]ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide is O=C(Cc1csc(NC(=O)c2cccs2)n1)NCCn1ncccc1=O.

What is the InChIKey of N-[4-[2-oxo-2-[2-(6-oxopyridazin-1-yl)ethylamino]ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide?

The InChIKey is KQBAGPVPDDAMSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O3S2/c22-13(17-6-7-21-14(23)4-1-5-18-21)9-11-10-26-16(19-11)20-15(24)12-3-2-8-25-12/h1-5,8,10H,6-7,9H2,(H,17,22)(H,19,20,24).

What are the key properties of N-[4-[2-oxo-2-[2-(6-oxopyridazin-1-yl)ethylamino]ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide?

N-[4-[2-oxo-2-[2-(6-oxopyridazin-1-yl)ethylamino]ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide has a molecular weight of 389.46 g/mol, XLogP of 1.37, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-oxo-2-[2-(6-oxopyridazin-1-yl)ethylamino]ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 45497679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).