N-(2-chloro-6-methylphenyl)-2-[[6-[4-(2-fluoroethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide

C22H25ClFN7OS — CID 23657441

About N-(2-chloro-6-methylphenyl)-2-[[6-[4-(2-fluoroethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide

N-(2-chloro-6-methylphenyl)-2-[[6-[4-(2-fluoroethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide (PubChem CID 23657441) has the molecular formula C22H25ClFN7OS and a molecular weight of 490.01 g/mol. Its IUPAC name is N-(2-chloro-6-methylphenyl)-2-[[6-[4-(2-fluoroethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: N-(2-chloro-6-methylphenyl)-2-[[6-[4-(2-fluoroethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide
• PubChem CID: 23657441
• Molecular Formula: C22H25ClFN7OS
• Molecular Weight: 490.01 g/mol
• Exact Mass: 489.15
• IUPAC Name: N-(2-chloro-6-methylphenyl)-2-[[6-[4-(2-fluoroethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide
• SMILES: Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCF)CC2)n1
• InChI: InChI=1S/C22H25ClFN7OS/c1-14-4-3-5-16(23)20(14)29-21(32)17-13-25-22(33-17)28-18-12-19(27-15(2)26-18)31-10-8-30(7-6-24)9-11-31/h3-5,12-13H,6-11H2,1-2H3,(H,29,32)(H,25,26,27,28)
• InChIKey: PLZOWXHKTJJSQR-UHFFFAOYSA-N
• XLogP: 4.29
• TPSA: 86.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	490.01
LogP ≤ 5	4.29
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-6-methylphenyl)-2-[[6-[4-(2-fluoroethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide?

The IUPAC name of N-(2-chloro-6-methylphenyl)-2-[[6-[4-(2-fluoroethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide (CID 23657441) is N-(2-chloro-6-methylphenyl)-2-[[6-[4-(2-fluoroethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide.

What is the SMILES notation for N-(2-chloro-6-methylphenyl)-2-[[6-[4-(2-fluoroethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide?

The canonical SMILES for N-(2-chloro-6-methylphenyl)-2-[[6-[4-(2-fluoroethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide is Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCF)CC2)n1.

What is the InChIKey of N-(2-chloro-6-methylphenyl)-2-[[6-[4-(2-fluoroethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide?

The InChIKey is PLZOWXHKTJJSQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClFN7OS/c1-14-4-3-5-16(23)20(14)29-21(32)17-13-25-22(33-17)28-18-12-19(27-15(2)26-18)31-10-8-30(7-6-24)9-11-31/h3-5,12-13H,6-11H2,1-2H3,(H,29,32)(H,25,26,27,28).

What are the key properties of N-(2-chloro-6-methylphenyl)-2-[[6-[4-(2-fluoroethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide?

N-(2-chloro-6-methylphenyl)-2-[[6-[4-(2-fluoroethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide has a molecular weight of 490.01 g/mol, XLogP of 4.29, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-chloro-6-methylphenyl)-2-[[6-[4-(2-fluoroethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 23657441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).