N-[2-(1,3-benzothiazol-2-yl)ethyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide

C19H16N4OS2 — CID 134040764

About N-[2-(1,3-benzothiazol-2-yl)ethyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide

N-[2-(1,3-benzothiazol-2-yl)ethyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 134040764) has the molecular formula C19H16N4OS2 and a molecular weight of 380.50 g/mol. Its IUPAC name is N-[2-(1,3-benzothiazol-2-yl)ethyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
• PubChem CID: 134040764
• Molecular Formula: C19H16N4OS2
• Molecular Weight: 380.50 g/mol
• Exact Mass: 380.08
• IUPAC Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
• SMILES: Cc1nc(-c2ccccn2)sc1C(=O)NCCc1nc2ccccc2s1
• InChI: InChI=1S/C19H16N4OS2/c1-12-17(26-19(22-12)14-7-4-5-10-20-14)18(24)21-11-9-16-23-13-6-2-3-8-15(13)25-16/h2-8,10H,9,11H2,1H3,(H,21,24)
• InChIKey: YBMPAHJFQPDKTG-UHFFFAOYSA-N
• XLogP: 4.10
• TPSA: 67.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	380.50
LogP ≤ 5	4.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzothiazol-2-yl)ethyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?

The IUPAC name of N-[2-(1,3-benzothiazol-2-yl)ethyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide (CID 134040764) is N-[2-(1,3-benzothiazol-2-yl)ethyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide.

What is the SMILES notation for N-[2-(1,3-benzothiazol-2-yl)ethyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?

The canonical SMILES for N-[2-(1,3-benzothiazol-2-yl)ethyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide is Cc1nc(-c2ccccn2)sc1C(=O)NCCc1nc2ccccc2s1.

What is the InChIKey of N-[2-(1,3-benzothiazol-2-yl)ethyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?

The InChIKey is YBMPAHJFQPDKTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4OS2/c1-12-17(26-19(22-12)14-7-4-5-10-20-14)18(24)21-11-9-16-23-13-6-2-3-8-15(13)25-16/h2-8,10H,9,11H2,1H3,(H,21,24).

What are the key properties of N-[2-(1,3-benzothiazol-2-yl)ethyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?

N-[2-(1,3-benzothiazol-2-yl)ethyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 380.50 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(1,3-benzothiazol-2-yl)ethyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 134040764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).