5-(2-aminopyrimidin-4-yl)-N-(5-chloro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide

C16H10ClN5OS2 — CID 59857142

About 5-(2-aminopyrimidin-4-yl)-N-(5-chloro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide

5-(2-aminopyrimidin-4-yl)-N-(5-chloro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide (PubChem CID 59857142) has the molecular formula C16H10ClN5OS2 and a molecular weight of 387.88 g/mol. Its IUPAC name is 5-(2-aminopyrimidin-4-yl)-N-(5-chloro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide.

Molecular Properties

• Compound Name: 5-(2-aminopyrimidin-4-yl)-N-(5-chloro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
• PubChem CID: 59857142
• Molecular Formula: C16H10ClN5OS2
• Molecular Weight: 387.88 g/mol
• Exact Mass: 387.00
• IUPAC Name: 5-(2-aminopyrimidin-4-yl)-N-(5-chloro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
• SMILES: Nc1nccc(-c2ccc(C(=O)Nc3nc4cc(Cl)ccc4s3)s2)n1
• InChI: InChI=1S/C16H10ClN5OS2/c17-8-1-2-12-10(7-8)21-16(25-12)22-14(23)13-4-3-11(24-13)9-5-6-19-15(18)20-9/h1-7H,(H2,18,19,20)(H,21,22,23)
• InChIKey: LAHORGMYKLZDPA-UHFFFAOYSA-N
• XLogP: 4.30
• TPSA: 93.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	387.88
LogP ≤ 5	4.30
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminopyrimidin-4-yl)-N-(5-chloro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide?

The IUPAC name of 5-(2-aminopyrimidin-4-yl)-N-(5-chloro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide (CID 59857142) is 5-(2-aminopyrimidin-4-yl)-N-(5-chloro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide.

What is the SMILES notation for 5-(2-aminopyrimidin-4-yl)-N-(5-chloro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide?

The canonical SMILES for 5-(2-aminopyrimidin-4-yl)-N-(5-chloro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide is Nc1nccc(-c2ccc(C(=O)Nc3nc4cc(Cl)ccc4s3)s2)n1.

What is the InChIKey of 5-(2-aminopyrimidin-4-yl)-N-(5-chloro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide?

The InChIKey is LAHORGMYKLZDPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClN5OS2/c17-8-1-2-12-10(7-8)21-16(25-12)22-14(23)13-4-3-11(24-13)9-5-6-19-15(18)20-9/h1-7H,(H2,18,19,20)(H,21,22,23).

What are the key properties of 5-(2-aminopyrimidin-4-yl)-N-(5-chloro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide?

5-(2-aminopyrimidin-4-yl)-N-(5-chloro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide has a molecular weight of 387.88 g/mol, XLogP of 4.30, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2-aminopyrimidin-4-yl)-N-(5-chloro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 59857142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).