2-(4-propan-2-yloxyphenyl)-N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]-1,3-thiazole-4-carboxamide

C19H22N4O2S2 — CID 71861930

About 2-(4-propan-2-yloxyphenyl)-N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]-1,3-thiazole-4-carboxamide

2-(4-propan-2-yloxyphenyl)-N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 71861930) has the molecular formula C19H22N4O2S2 and a molecular weight of 402.55 g/mol. Its IUPAC name is 2-(4-propan-2-yloxyphenyl)-N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: 2-(4-propan-2-yloxyphenyl)-N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]-1,3-thiazole-4-carboxamide
• PubChem CID: 71861930
• Molecular Formula: C19H22N4O2S2
• Molecular Weight: 402.55 g/mol
• Exact Mass: 402.12
• IUPAC Name: 2-(4-propan-2-yloxyphenyl)-N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]-1,3-thiazole-4-carboxamide
• SMILES: CC(C)Oc1ccc(-c2nc(C(=O)NCc3nnc(C(C)C)s3)cs2)cc1
• InChI: InChI=1S/C19H22N4O2S2/c1-11(2)18-23-22-16(27-18)9-20-17(24)15-10-26-19(21-15)13-5-7-14(8-6-13)25-12(3)4/h5-8,10-12H,9H2,1-4H3,(H,20,24)
• InChIKey: XGYJHVGYCBEYND-UHFFFAOYSA-N
• XLogP: 4.50
• TPSA: 77.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	402.55
LogP ≤ 5	4.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-yloxyphenyl)-N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]-1,3-thiazole-4-carboxamide?

The IUPAC name of 2-(4-propan-2-yloxyphenyl)-N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]-1,3-thiazole-4-carboxamide (CID 71861930) is 2-(4-propan-2-yloxyphenyl)-N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]-1,3-thiazole-4-carboxamide.

What is the SMILES notation for 2-(4-propan-2-yloxyphenyl)-N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]-1,3-thiazole-4-carboxamide?

The canonical SMILES for 2-(4-propan-2-yloxyphenyl)-N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]-1,3-thiazole-4-carboxamide is CC(C)Oc1ccc(-c2nc(C(=O)NCc3nnc(C(C)C)s3)cs2)cc1.

What is the InChIKey of 2-(4-propan-2-yloxyphenyl)-N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]-1,3-thiazole-4-carboxamide?

The InChIKey is XGYJHVGYCBEYND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2S2/c1-11(2)18-23-22-16(27-18)9-20-17(24)15-10-26-19(21-15)13-5-7-14(8-6-13)25-12(3)4/h5-8,10-12H,9H2,1-4H3,(H,20,24).

What are the key properties of 2-(4-propan-2-yloxyphenyl)-N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]-1,3-thiazole-4-carboxamide?

2-(4-propan-2-yloxyphenyl)-N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 402.55 g/mol, XLogP of 4.50, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-propan-2-yloxyphenyl)-N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 71861930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).