3-(2-chloro-1,3-thiazol-5-yl)-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)propanamide

C15H14ClN5OS — CID 169305288

About 3-(2-chloro-1,3-thiazol-5-yl)-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)propanamide

3-(2-chloro-1,3-thiazol-5-yl)-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)propanamide (PubChem CID 169305288) has the molecular formula C15H14ClN5OS and a molecular weight of 347.83 g/mol. Its IUPAC name is 3-(2-chloro-1,3-thiazol-5-yl)-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)propanamide.

Molecular Properties

• Compound Name: 3-(2-chloro-1,3-thiazol-5-yl)-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)propanamide
• PubChem CID: 169305288
• Molecular Formula: C15H14ClN5OS
• Molecular Weight: 347.83 g/mol
• Exact Mass: 347.06
• IUPAC Name: 3-(2-chloro-1,3-thiazol-5-yl)-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)propanamide
• SMILES: Cc1c(NC(=O)CCc2cnc(Cl)s2)n[nH]c1-c1ccncc1
• InChI: InChI=1S/C15H14ClN5OS/c1-9-13(10-4-6-17-7-5-10)20-21-14(9)19-12(22)3-2-11-8-18-15(16)23-11/h4-8H,2-3H2,1H3,(H2,19,20,21,22)
• InChIKey: OVLIIKOFCVUNQT-UHFFFAOYSA-N
• XLogP: 3.46
• TPSA: 83.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	347.83
LogP ≤ 5	3.46
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-1,3-thiazol-5-yl)-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)propanamide?

The IUPAC name of 3-(2-chloro-1,3-thiazol-5-yl)-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)propanamide (CID 169305288) is 3-(2-chloro-1,3-thiazol-5-yl)-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)propanamide.

What is the SMILES notation for 3-(2-chloro-1,3-thiazol-5-yl)-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)propanamide?

The canonical SMILES for 3-(2-chloro-1,3-thiazol-5-yl)-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)propanamide is Cc1c(NC(=O)CCc2cnc(Cl)s2)n[nH]c1-c1ccncc1.

What is the InChIKey of 3-(2-chloro-1,3-thiazol-5-yl)-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)propanamide?

The InChIKey is OVLIIKOFCVUNQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN5OS/c1-9-13(10-4-6-17-7-5-10)20-21-14(9)19-12(22)3-2-11-8-18-15(16)23-11/h4-8H,2-3H2,1H3,(H2,19,20,21,22).

What are the key properties of 3-(2-chloro-1,3-thiazol-5-yl)-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)propanamide?

3-(2-chloro-1,3-thiazol-5-yl)-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)propanamide has a molecular weight of 347.83 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2-chloro-1,3-thiazol-5-yl)-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)propanamide is sourced from PubChem (CID 169305288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).