N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxamide

C19H14ClN5OS2 — CID 59857154

About N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxamide

N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxamide (PubChem CID 59857154) has the molecular formula C19H14ClN5OS2 and a molecular weight of 427.94 g/mol. Its IUPAC name is N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxamide
• PubChem CID: 59857154
• Molecular Formula: C19H14ClN5OS2
• Molecular Weight: 427.94 g/mol
• Exact Mass: 427.03
• IUPAC Name: N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxamide
• SMILES: CNc1nccc(-c2ccc(C(=O)Nc3nc(-c4ccccc4Cl)cs3)s2)n1
• InChI: InChI=1S/C19H14ClN5OS2/c1-21-18-22-9-8-13(23-18)15-6-7-16(28-15)17(26)25-19-24-14(10-27-19)11-4-2-3-5-12(11)20/h2-10H,1H3,(H,21,22,23)(H,24,25,26)
• InChIKey: WMQIUPWPTGHQKW-UHFFFAOYSA-N
• XLogP: 5.28
• TPSA: 79.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	427.94
LogP ≤ 5	5.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxamide?

The IUPAC name of N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxamide (CID 59857154) is N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxamide.

What is the SMILES notation for N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxamide?

The canonical SMILES for N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxamide is CNc1nccc(-c2ccc(C(=O)Nc3nc(-c4ccccc4Cl)cs3)s2)n1.

What is the InChIKey of N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxamide?

The InChIKey is WMQIUPWPTGHQKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN5OS2/c1-21-18-22-9-8-13(23-18)15-6-7-16(28-15)17(26)25-19-24-14(10-27-19)11-4-2-3-5-12(11)20/h2-10H,1H3,(H,21,22,23)(H,24,25,26).

What are the key properties of N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxamide?

N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxamide has a molecular weight of 427.94 g/mol, XLogP of 5.28, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxamide is sourced from PubChem (CID 59857154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).