5-(1,3-benzothiazol-2-yl)-N-[4-(4-phenylphenyl)-5-propyl-1,3-thiazol-2-yl]thiophene-2-carboxamide

C30H23N3OS3 — CID 3346874

About 5-(1,3-benzothiazol-2-yl)-N-[4-(4-phenylphenyl)-5-propyl-1,3-thiazol-2-yl]thiophene-2-carboxamide

5-(1,3-benzothiazol-2-yl)-N-[4-(4-phenylphenyl)-5-propyl-1,3-thiazol-2-yl]thiophene-2-carboxamide (PubChem CID 3346874) has the molecular formula C30H23N3OS3 and a molecular weight of 537.74 g/mol. Its IUPAC name is 5-(1,3-benzothiazol-2-yl)-N-[4-(4-phenylphenyl)-5-propyl-1,3-thiazol-2-yl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: 5-(1,3-benzothiazol-2-yl)-N-[4-(4-phenylphenyl)-5-propyl-1,3-thiazol-2-yl]thiophene-2-carboxamide
• PubChem CID: 3346874
• Molecular Formula: C30H23N3OS3
• Molecular Weight: 537.74 g/mol
• Exact Mass: 537.10
• IUPAC Name: 5-(1,3-benzothiazol-2-yl)-N-[4-(4-phenylphenyl)-5-propyl-1,3-thiazol-2-yl]thiophene-2-carboxamide
• SMILES: CCCc1sc(NC(=O)c2ccc(-c3nc4ccccc4s3)s2)nc1-c1ccc(-c2ccccc2)cc1
• InChI: InChI=1S/C30H23N3OS3/c1-2-8-24-27(21-15-13-20(14-16-21)19-9-4-3-5-10-19)32-30(37-24)33-28(34)25-17-18-26(35-25)29-31-22-11-6-7-12-23(22)36-29/h3-7,9-18H,2,8H2,1H3,(H,32,33,34)
• InChIKey: LNGVVUKFGCGSOP-UHFFFAOYSA-N
• XLogP: 9.02
• TPSA: 54.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	537.74
LogP ≤ 5	9.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzothiazol-2-yl)-N-[4-(4-phenylphenyl)-5-propyl-1,3-thiazol-2-yl]thiophene-2-carboxamide?

The IUPAC name of 5-(1,3-benzothiazol-2-yl)-N-[4-(4-phenylphenyl)-5-propyl-1,3-thiazol-2-yl]thiophene-2-carboxamide (CID 3346874) is 5-(1,3-benzothiazol-2-yl)-N-[4-(4-phenylphenyl)-5-propyl-1,3-thiazol-2-yl]thiophene-2-carboxamide.

What is the SMILES notation for 5-(1,3-benzothiazol-2-yl)-N-[4-(4-phenylphenyl)-5-propyl-1,3-thiazol-2-yl]thiophene-2-carboxamide?

The canonical SMILES for 5-(1,3-benzothiazol-2-yl)-N-[4-(4-phenylphenyl)-5-propyl-1,3-thiazol-2-yl]thiophene-2-carboxamide is CCCc1sc(NC(=O)c2ccc(-c3nc4ccccc4s3)s2)nc1-c1ccc(-c2ccccc2)cc1.

What is the InChIKey of 5-(1,3-benzothiazol-2-yl)-N-[4-(4-phenylphenyl)-5-propyl-1,3-thiazol-2-yl]thiophene-2-carboxamide?

The InChIKey is LNGVVUKFGCGSOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23N3OS3/c1-2-8-24-27(21-15-13-20(14-16-21)19-9-4-3-5-10-19)32-30(37-24)33-28(34)25-17-18-26(35-25)29-31-22-11-6-7-12-23(22)36-29/h3-7,9-18H,2,8H2,1H3,(H,32,33,34).

What are the key properties of 5-(1,3-benzothiazol-2-yl)-N-[4-(4-phenylphenyl)-5-propyl-1,3-thiazol-2-yl]thiophene-2-carboxamide?

5-(1,3-benzothiazol-2-yl)-N-[4-(4-phenylphenyl)-5-propyl-1,3-thiazol-2-yl]thiophene-2-carboxamide has a molecular weight of 537.74 g/mol, XLogP of 9.02, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(1,3-benzothiazol-2-yl)-N-[4-(4-phenylphenyl)-5-propyl-1,3-thiazol-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 3346874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).