N-[2-(4-hydroxyphenyl)ethyl]-2-[(2-methylpyrazol-3-yl)amino]-1,3-thiazole-5-carboxamide

C16H17N5O2S — CID 117084654

About N-[2-(4-hydroxyphenyl)ethyl]-2-[(2-methylpyrazol-3-yl)amino]-1,3-thiazole-5-carboxamide

N-[2-(4-hydroxyphenyl)ethyl]-2-[(2-methylpyrazol-3-yl)amino]-1,3-thiazole-5-carboxamide (PubChem CID 117084654) has the molecular formula C16H17N5O2S and a molecular weight of 343.41 g/mol. Its IUPAC name is N-[2-(4-hydroxyphenyl)ethyl]-2-[(2-methylpyrazol-3-yl)amino]-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[2-(4-hydroxyphenyl)ethyl]-2-[(2-methylpyrazol-3-yl)amino]-1,3-thiazole-5-carboxamide
• PubChem CID: 117084654
• Molecular Formula: C16H17N5O2S
• Molecular Weight: 343.41 g/mol
• Exact Mass: 343.11
• IUPAC Name: N-[2-(4-hydroxyphenyl)ethyl]-2-[(2-methylpyrazol-3-yl)amino]-1,3-thiazole-5-carboxamide
• SMILES: Cn1nccc1Nc1ncc(C(=O)NCCc2ccc(O)cc2)s1
• InChI: InChI=1S/C16H17N5O2S/c1-21-14(7-9-19-21)20-16-18-10-13(24-16)15(23)17-8-6-11-2-4-12(22)5-3-11/h2-5,7,9-10,22H,6,8H2,1H3,(H,17,23)(H,18,20)
• InChIKey: LEAOFVKDIIFMEY-UHFFFAOYSA-N
• XLogP: 2.30
• TPSA: 92.07 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	343.41
LogP ≤ 5	2.30
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-hydroxyphenyl)ethyl]-2-[(2-methylpyrazol-3-yl)amino]-1,3-thiazole-5-carboxamide?

The IUPAC name of N-[2-(4-hydroxyphenyl)ethyl]-2-[(2-methylpyrazol-3-yl)amino]-1,3-thiazole-5-carboxamide (CID 117084654) is N-[2-(4-hydroxyphenyl)ethyl]-2-[(2-methylpyrazol-3-yl)amino]-1,3-thiazole-5-carboxamide.

What is the SMILES notation for N-[2-(4-hydroxyphenyl)ethyl]-2-[(2-methylpyrazol-3-yl)amino]-1,3-thiazole-5-carboxamide?

The canonical SMILES for N-[2-(4-hydroxyphenyl)ethyl]-2-[(2-methylpyrazol-3-yl)amino]-1,3-thiazole-5-carboxamide is Cn1nccc1Nc1ncc(C(=O)NCCc2ccc(O)cc2)s1.

What is the InChIKey of N-[2-(4-hydroxyphenyl)ethyl]-2-[(2-methylpyrazol-3-yl)amino]-1,3-thiazole-5-carboxamide?

The InChIKey is LEAOFVKDIIFMEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2S/c1-21-14(7-9-19-21)20-16-18-10-13(24-16)15(23)17-8-6-11-2-4-12(22)5-3-11/h2-5,7,9-10,22H,6,8H2,1H3,(H,17,23)(H,18,20).

What are the key properties of N-[2-(4-hydroxyphenyl)ethyl]-2-[(2-methylpyrazol-3-yl)amino]-1,3-thiazole-5-carboxamide?

N-[2-(4-hydroxyphenyl)ethyl]-2-[(2-methylpyrazol-3-yl)amino]-1,3-thiazole-5-carboxamide has a molecular weight of 343.41 g/mol, XLogP of 2.30, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(4-hydroxyphenyl)ethyl]-2-[(2-methylpyrazol-3-yl)amino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 117084654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).