2-(ethylamino)-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1,3-thiazole-4-carboxamide

C16H23N5OS2 — CID 71864106

About 2-(ethylamino)-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1,3-thiazole-4-carboxamide

2-(ethylamino)-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1,3-thiazole-4-carboxamide (PubChem CID 71864106) has the molecular formula C16H23N5OS2 and a molecular weight of 365.53 g/mol. Its IUPAC name is 2-(ethylamino)-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: 2-(ethylamino)-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1,3-thiazole-4-carboxamide
• PubChem CID: 71864106
• Molecular Formula: C16H23N5OS2
• Molecular Weight: 365.53 g/mol
• Exact Mass: 365.13
• IUPAC Name: 2-(ethylamino)-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1,3-thiazole-4-carboxamide
• SMILES: CCNc1nc(C(=O)Nc2nc(CN3CCC(C)CC3)cs2)cs1
• InChI: InChI=1S/C16H23N5OS2/c1-3-17-15-19-13(10-24-15)14(22)20-16-18-12(9-23-16)8-21-6-4-11(2)5-7-21/h9-11H,3-8H2,1-2H3,(H,17,19)(H,18,20,22)
• InChIKey: VUHMEYVVGFRLNY-UHFFFAOYSA-N
• XLogP: 3.52
• TPSA: 70.15 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	365.53
LogP ≤ 5	3.52
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1,3-thiazole-4-carboxamide?

The IUPAC name of 2-(ethylamino)-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1,3-thiazole-4-carboxamide (CID 71864106) is 2-(ethylamino)-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1,3-thiazole-4-carboxamide.

What is the SMILES notation for 2-(ethylamino)-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1,3-thiazole-4-carboxamide?

The canonical SMILES for 2-(ethylamino)-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1,3-thiazole-4-carboxamide is CCNc1nc(C(=O)Nc2nc(CN3CCC(C)CC3)cs2)cs1.

What is the InChIKey of 2-(ethylamino)-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1,3-thiazole-4-carboxamide?

The InChIKey is VUHMEYVVGFRLNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5OS2/c1-3-17-15-19-13(10-24-15)14(22)20-16-18-12(9-23-16)8-21-6-4-11(2)5-7-21/h9-11H,3-8H2,1-2H3,(H,17,19)(H,18,20,22).

What are the key properties of 2-(ethylamino)-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1,3-thiazole-4-carboxamide?

2-(ethylamino)-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 365.53 g/mol, XLogP of 3.52, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(ethylamino)-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 71864106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).