N-[4-[[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]carbamoyl]phenyl]thiophene-2-carboxamide

C20H15N3O2S3 — CID 24570119

About N-[4-[[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]carbamoyl]phenyl]thiophene-2-carboxamide

N-[4-[[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]carbamoyl]phenyl]thiophene-2-carboxamide (PubChem CID 24570119) has the molecular formula C20H15N3O2S3 and a molecular weight of 425.56 g/mol. Its IUPAC name is N-[4-[[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]carbamoyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-[[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]carbamoyl]phenyl]thiophene-2-carboxamide
• PubChem CID: 24570119
• Molecular Formula: C20H15N3O2S3
• Molecular Weight: 425.56 g/mol
• Exact Mass: 425.03
• IUPAC Name: N-[4-[[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]carbamoyl]phenyl]thiophene-2-carboxamide
• SMILES: Cc1ccc(-c2csc(NC(=O)c3ccc(NC(=O)c4cccs4)cc3)n2)s1
• InChI: InChI=1S/C20H15N3O2S3/c1-12-4-9-16(28-12)15-11-27-20(22-15)23-18(24)13-5-7-14(8-6-13)21-19(25)17-3-2-10-26-17/h2-11H,1H3,(H,21,25)(H,22,23,24)
• InChIKey: XUJAOSZPUOCMRT-UHFFFAOYSA-N
• XLogP: 5.75
• TPSA: 71.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	425.56
LogP ≤ 5	5.75
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]carbamoyl]phenyl]thiophene-2-carboxamide?

The IUPAC name of N-[4-[[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]carbamoyl]phenyl]thiophene-2-carboxamide (CID 24570119) is N-[4-[[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]carbamoyl]phenyl]thiophene-2-carboxamide.

What is the SMILES notation for N-[4-[[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]carbamoyl]phenyl]thiophene-2-carboxamide?

The canonical SMILES for N-[4-[[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]carbamoyl]phenyl]thiophene-2-carboxamide is Cc1ccc(-c2csc(NC(=O)c3ccc(NC(=O)c4cccs4)cc3)n2)s1.

What is the InChIKey of N-[4-[[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]carbamoyl]phenyl]thiophene-2-carboxamide?

The InChIKey is XUJAOSZPUOCMRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O2S3/c1-12-4-9-16(28-12)15-11-27-20(22-15)23-18(24)13-5-7-14(8-6-13)21-19(25)17-3-2-10-26-17/h2-11H,1H3,(H,21,25)(H,22,23,24).

What are the key properties of N-[4-[[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]carbamoyl]phenyl]thiophene-2-carboxamide?

N-[4-[[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]carbamoyl]phenyl]thiophene-2-carboxamide has a molecular weight of 425.56 g/mol, XLogP of 5.75, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]carbamoyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 24570119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).