4-(4-methoxyphenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)thiadiazole-5-carboxamide

C18H13N5O2S2 — CID 52900445

About 4-(4-methoxyphenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)thiadiazole-5-carboxamide

4-(4-methoxyphenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)thiadiazole-5-carboxamide (PubChem CID 52900445) has the molecular formula C18H13N5O2S2 and a molecular weight of 395.47 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)thiadiazole-5-carboxamide.

Molecular Properties

• Compound Name: 4-(4-methoxyphenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)thiadiazole-5-carboxamide
• PubChem CID: 52900445
• Molecular Formula: C18H13N5O2S2
• Molecular Weight: 395.47 g/mol
• Exact Mass: 395.05
• IUPAC Name: 4-(4-methoxyphenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)thiadiazole-5-carboxamide
• SMILES: COc1ccc(-c2nnsc2C(=O)Nc2nc(-c3ccccn3)cs2)cc1
• InChI: InChI=1S/C18H13N5O2S2/c1-25-12-7-5-11(6-8-12)15-16(27-23-22-15)17(24)21-18-20-14(10-26-18)13-4-2-3-9-19-13/h2-10H,1H3,(H,20,21,24)
• InChIKey: IDHZJCDUCLYPDS-UHFFFAOYSA-N
• XLogP: 3.98
• TPSA: 89.89 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.47
LogP ≤ 5	3.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)thiadiazole-5-carboxamide?

The IUPAC name of 4-(4-methoxyphenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)thiadiazole-5-carboxamide (CID 52900445) is 4-(4-methoxyphenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)thiadiazole-5-carboxamide.

What is the SMILES notation for 4-(4-methoxyphenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)thiadiazole-5-carboxamide?

The canonical SMILES for 4-(4-methoxyphenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)thiadiazole-5-carboxamide is COc1ccc(-c2nnsc2C(=O)Nc2nc(-c3ccccn3)cs2)cc1.

What is the InChIKey of 4-(4-methoxyphenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)thiadiazole-5-carboxamide?

The InChIKey is IDHZJCDUCLYPDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N5O2S2/c1-25-12-7-5-11(6-8-12)15-16(27-23-22-15)17(24)21-18-20-14(10-26-18)13-4-2-3-9-19-13/h2-10H,1H3,(H,20,21,24).

What are the key properties of 4-(4-methoxyphenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)thiadiazole-5-carboxamide?

4-(4-methoxyphenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)thiadiazole-5-carboxamide has a molecular weight of 395.47 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(4-methoxyphenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)thiadiazole-5-carboxamide is sourced from PubChem (CID 52900445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).