[5-(1,3-benzothiazol-6-yl)-1-(6-methyl-2-pyridinyl)pyrazol-3-yl] N-methylcarbamate

C18H15N5O2S — CID 169074355

About [5-(1,3-benzothiazol-6-yl)-1-(6-methyl-2-pyridinyl)pyrazol-3-yl] N-methylcarbamate

[5-(1,3-benzothiazol-6-yl)-1-(6-methyl-2-pyridinyl)pyrazol-3-yl] N-methylcarbamate (PubChem CID 169074355) has the molecular formula C18H15N5O2S and a molecular weight of 365.42 g/mol. Its IUPAC name is [5-(1,3-benzothiazol-6-yl)-1-(6-methyl-2-pyridinyl)pyrazol-3-yl] N-methylcarbamate.

Molecular Properties

• Compound Name: [5-(1,3-benzothiazol-6-yl)-1-(6-methyl-2-pyridinyl)pyrazol-3-yl] N-methylcarbamate
• PubChem CID: 169074355
• Molecular Formula: C18H15N5O2S
• Molecular Weight: 365.42 g/mol
• Exact Mass: 365.09
• IUPAC Name: [5-(1,3-benzothiazol-6-yl)-1-(6-methyl-2-pyridinyl)pyrazol-3-yl] N-methylcarbamate
• SMILES: CNC(=O)Oc1cc(-c2ccc3ncsc3c2)n(-c2cccc(C)n2)n1
• InChI: InChI=1S/C18H15N5O2S/c1-11-4-3-5-16(21-11)23-14(9-17(22-23)25-18(24)19-2)12-6-7-13-15(8-12)26-10-20-13/h3-10H,1-2H3,(H,19,24)
• InChIKey: BBRJLZDXYMROGI-UHFFFAOYSA-N
• XLogP: 3.57
• TPSA: 81.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	365.42
LogP ≤ 5	3.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [5-(1,3-benzothiazol-6-yl)-1-(6-methyl-2-pyridinyl)pyrazol-3-yl] N-methylcarbamate?

The IUPAC name of [5-(1,3-benzothiazol-6-yl)-1-(6-methyl-2-pyridinyl)pyrazol-3-yl] N-methylcarbamate (CID 169074355) is [5-(1,3-benzothiazol-6-yl)-1-(6-methyl-2-pyridinyl)pyrazol-3-yl] N-methylcarbamate.

What is the SMILES notation for [5-(1,3-benzothiazol-6-yl)-1-(6-methyl-2-pyridinyl)pyrazol-3-yl] N-methylcarbamate?

The canonical SMILES for [5-(1,3-benzothiazol-6-yl)-1-(6-methyl-2-pyridinyl)pyrazol-3-yl] N-methylcarbamate is CNC(=O)Oc1cc(-c2ccc3ncsc3c2)n(-c2cccc(C)n2)n1.

What is the InChIKey of [5-(1,3-benzothiazol-6-yl)-1-(6-methyl-2-pyridinyl)pyrazol-3-yl] N-methylcarbamate?

The InChIKey is BBRJLZDXYMROGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O2S/c1-11-4-3-5-16(21-11)23-14(9-17(22-23)25-18(24)19-2)12-6-7-13-15(8-12)26-10-20-13/h3-10H,1-2H3,(H,19,24).

What are the key properties of [5-(1,3-benzothiazol-6-yl)-1-(6-methyl-2-pyridinyl)pyrazol-3-yl] N-methylcarbamate?

[5-(1,3-benzothiazol-6-yl)-1-(6-methyl-2-pyridinyl)pyrazol-3-yl] N-methylcarbamate has a molecular weight of 365.42 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [5-(1,3-benzothiazol-6-yl)-1-(6-methyl-2-pyridinyl)pyrazol-3-yl] N-methylcarbamate is sourced from PubChem (CID 169074355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).