3-(2-methoxyphenyl)-N-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-1H-pyrazole-5-carboxamide

C17H17N5O3S — CID 121084022

About 3-(2-methoxyphenyl)-N-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-1H-pyrazole-5-carboxamide

3-(2-methoxyphenyl)-N-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-1H-pyrazole-5-carboxamide (PubChem CID 121084022) has the molecular formula C17H17N5O3S and a molecular weight of 371.42 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-N-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-1H-pyrazole-5-carboxamide.

Molecular Properties

• Compound Name: 3-(2-methoxyphenyl)-N-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-1H-pyrazole-5-carboxamide
• PubChem CID: 121084022
• Molecular Formula: C17H17N5O3S
• Molecular Weight: 371.42 g/mol
• Exact Mass: 371.11
• IUPAC Name: 3-(2-methoxyphenyl)-N-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-1H-pyrazole-5-carboxamide
• SMILES: CNC(=O)Cc1csc(NC(=O)c2cc(-c3ccccc3OC)n[nH]2)n1
• InChI: InChI=1S/C17H17N5O3S/c1-18-15(23)7-10-9-26-17(19-10)20-16(24)13-8-12(21-22-13)11-5-3-4-6-14(11)25-2/h3-6,8-9H,7H2,1-2H3,(H,18,23)(H,21,22)(H,19,20,24)
• InChIKey: JFHNZXMKFOPQQD-UHFFFAOYSA-N
• XLogP: 2.08
• TPSA: 109.00 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	371.42
LogP ≤ 5	2.08
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-N-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-1H-pyrazole-5-carboxamide?

The IUPAC name of 3-(2-methoxyphenyl)-N-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-1H-pyrazole-5-carboxamide (CID 121084022) is 3-(2-methoxyphenyl)-N-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-1H-pyrazole-5-carboxamide.

What is the SMILES notation for 3-(2-methoxyphenyl)-N-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-1H-pyrazole-5-carboxamide?

The canonical SMILES for 3-(2-methoxyphenyl)-N-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-1H-pyrazole-5-carboxamide is CNC(=O)Cc1csc(NC(=O)c2cc(-c3ccccc3OC)n[nH]2)n1.

What is the InChIKey of 3-(2-methoxyphenyl)-N-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-1H-pyrazole-5-carboxamide?

The InChIKey is JFHNZXMKFOPQQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O3S/c1-18-15(23)7-10-9-26-17(19-10)20-16(24)13-8-12(21-22-13)11-5-3-4-6-14(11)25-2/h3-6,8-9H,7H2,1-2H3,(H,18,23)(H,21,22)(H,19,20,24).

What are the key properties of 3-(2-methoxyphenyl)-N-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-1H-pyrazole-5-carboxamide?

3-(2-methoxyphenyl)-N-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-1H-pyrazole-5-carboxamide has a molecular weight of 371.42 g/mol, XLogP of 2.08, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2-methoxyphenyl)-N-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 121084022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).