N-[4-[2-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylanilino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide

C23H17N5O3S2 — CID 55763997

About N-[4-[2-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylanilino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide

N-[4-[2-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylanilino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide (PubChem CID 55763997) has the molecular formula C23H17N5O3S2 and a molecular weight of 475.56 g/mol. Its IUPAC name is N-[4-[2-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylanilino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-[2-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylanilino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
• PubChem CID: 55763997
• Molecular Formula: C23H17N5O3S2
• Molecular Weight: 475.56 g/mol
• Exact Mass: 475.08
• IUPAC Name: N-[4-[2-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylanilino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
• SMILES: Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)Cc1csc(NC(=O)c2cccs2)n1
• InChI: InChI=1S/C23H17N5O3S2/c1-14-10-17(31-22-15(12-24)4-2-8-25-22)6-7-18(14)27-20(29)11-16-13-33-23(26-16)28-21(30)19-5-3-9-32-19/h2-10,13H,11H2,1H3,(H,27,29)(H,26,28,30)
• InChIKey: ZCWMYBXHJBTWGN-UHFFFAOYSA-N
• XLogP: 5.01
• TPSA: 117.00 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	475.56
LogP ≤ 5	5.01
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylanilino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide?

The IUPAC name of N-[4-[2-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylanilino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide (CID 55763997) is N-[4-[2-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylanilino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide.

What is the SMILES notation for N-[4-[2-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylanilino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide?

The canonical SMILES for N-[4-[2-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylanilino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide is Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)Cc1csc(NC(=O)c2cccs2)n1.

What is the InChIKey of N-[4-[2-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylanilino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide?

The InChIKey is ZCWMYBXHJBTWGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N5O3S2/c1-14-10-17(31-22-15(12-24)4-2-8-25-22)6-7-18(14)27-20(29)11-16-13-33-23(26-16)28-21(30)19-5-3-9-32-19/h2-10,13H,11H2,1H3,(H,27,29)(H,26,28,30).

What are the key properties of N-[4-[2-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylanilino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide?

N-[4-[2-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylanilino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide has a molecular weight of 475.56 g/mol, XLogP of 5.01, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylanilino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 55763997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).