2-[(5-fluoro-2-pyridinyl)amino]-4-methyl-N-(2-thiophen-2-ylethyl)-1,3-thiazole-5-carboxamide

C16H15FN4OS2 — CID 53199996

About 2-[(5-fluoro-2-pyridinyl)amino]-4-methyl-N-(2-thiophen-2-ylethyl)-1,3-thiazole-5-carboxamide

2-[(5-fluoro-2-pyridinyl)amino]-4-methyl-N-(2-thiophen-2-ylethyl)-1,3-thiazole-5-carboxamide (PubChem CID 53199996) has the molecular formula C16H15FN4OS2 and a molecular weight of 362.46 g/mol. Its IUPAC name is 2-[(5-fluoro-2-pyridinyl)amino]-4-methyl-N-(2-thiophen-2-ylethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: 2-[(5-fluoro-2-pyridinyl)amino]-4-methyl-N-(2-thiophen-2-ylethyl)-1,3-thiazole-5-carboxamide
• PubChem CID: 53199996
• Molecular Formula: C16H15FN4OS2
• Molecular Weight: 362.46 g/mol
• Exact Mass: 362.07
• IUPAC Name: 2-[(5-fluoro-2-pyridinyl)amino]-4-methyl-N-(2-thiophen-2-ylethyl)-1,3-thiazole-5-carboxamide
• SMILES: Cc1nc(Nc2ccc(F)cn2)sc1C(=O)NCCc1cccs1
• InChI: InChI=1S/C16H15FN4OS2/c1-10-14(15(22)18-7-6-12-3-2-8-23-12)24-16(20-10)21-13-5-4-11(17)9-19-13/h2-5,8-9H,6-7H2,1H3,(H,18,22)(H,19,20,21)
• InChIKey: ARCUMSLHTNLGMA-UHFFFAOYSA-N
• XLogP: 3.76
• TPSA: 66.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	362.46
LogP ≤ 5	3.76
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[(5-fluoro-2-pyridinyl)amino]-4-methyl-N-(2-thiophen-2-ylethyl)-1,3-thiazole-5-carboxamide?

The IUPAC name of 2-[(5-fluoro-2-pyridinyl)amino]-4-methyl-N-(2-thiophen-2-ylethyl)-1,3-thiazole-5-carboxamide (CID 53199996) is 2-[(5-fluoro-2-pyridinyl)amino]-4-methyl-N-(2-thiophen-2-ylethyl)-1,3-thiazole-5-carboxamide.

What is the SMILES notation for 2-[(5-fluoro-2-pyridinyl)amino]-4-methyl-N-(2-thiophen-2-ylethyl)-1,3-thiazole-5-carboxamide?

The canonical SMILES for 2-[(5-fluoro-2-pyridinyl)amino]-4-methyl-N-(2-thiophen-2-ylethyl)-1,3-thiazole-5-carboxamide is Cc1nc(Nc2ccc(F)cn2)sc1C(=O)NCCc1cccs1.

What is the InChIKey of 2-[(5-fluoro-2-pyridinyl)amino]-4-methyl-N-(2-thiophen-2-ylethyl)-1,3-thiazole-5-carboxamide?

The InChIKey is ARCUMSLHTNLGMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4OS2/c1-10-14(15(22)18-7-6-12-3-2-8-23-12)24-16(20-10)21-13-5-4-11(17)9-19-13/h2-5,8-9H,6-7H2,1H3,(H,18,22)(H,19,20,21).

What are the key properties of 2-[(5-fluoro-2-pyridinyl)amino]-4-methyl-N-(2-thiophen-2-ylethyl)-1,3-thiazole-5-carboxamide?

2-[(5-fluoro-2-pyridinyl)amino]-4-methyl-N-(2-thiophen-2-ylethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 362.46 g/mol, XLogP of 3.76, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(5-fluoro-2-pyridinyl)amino]-4-methyl-N-(2-thiophen-2-ylethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 53199996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).