N-(2-chloro-6-methylphenyl)formamide;ethane;N-[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]-5-methyl-1,3-thiazol-2-amine

C25H36ClN7OS — CID 143229061

About N-(2-chloro-6-methylphenyl)formamide;ethane;N-[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]-5-methyl-1,3-thiazol-2-amine

N-(2-chloro-6-methylphenyl)formamide;ethane;N-[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]-5-methyl-1,3-thiazol-2-amine (PubChem CID 143229061) has the molecular formula C25H36ClN7OS and a molecular weight of 518.13 g/mol. Its IUPAC name is N-(2-chloro-6-methylphenyl)formamide;ethane;N-[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]-5-methyl-1,3-thiazol-2-amine.

Molecular Properties

• Compound Name: N-(2-chloro-6-methylphenyl)formamide;ethane;N-[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]-5-methyl-1,3-thiazol-2-amine
• PubChem CID: 143229061
• Molecular Formula: C25H36ClN7OS
• Molecular Weight: 518.13 g/mol
• Exact Mass: 517.24
• IUPAC Name: N-(2-chloro-6-methylphenyl)formamide;ethane;N-[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]-5-methyl-1,3-thiazol-2-amine
• SMILES: CC.CCN1CCN(c2cc(Nc3ncc(C)s3)nc(C)n2)CC1.Cc1cccc(Cl)c1NC=O
• InChI: InChI=1S/C15H22N6S.C8H8ClNO.C2H6/c1-4-20-5-7-21(8-6-20)14-9-13(17-12(3)18-14)19-15-16-10-11(2)22-15;1-6-3-2-4-7(9)8(6)10-5-11;1-2/h9-10H,4-8H2,1-3H3,(H,16,17,18,19);2-5H,1H3,(H,10,11);1-2H3
• InChIKey: FIUYDWIJKVKLJM-UHFFFAOYSA-N
• XLogP: 5.68
• TPSA: 86.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	518.13
LogP ≤ 5	5.68
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-6-methylphenyl)formamide;ethane;N-[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]-5-methyl-1,3-thiazol-2-amine?

The IUPAC name of N-(2-chloro-6-methylphenyl)formamide;ethane;N-[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]-5-methyl-1,3-thiazol-2-amine (CID 143229061) is N-(2-chloro-6-methylphenyl)formamide;ethane;N-[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]-5-methyl-1,3-thiazol-2-amine.

What is the SMILES notation for N-(2-chloro-6-methylphenyl)formamide;ethane;N-[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]-5-methyl-1,3-thiazol-2-amine?

The canonical SMILES for N-(2-chloro-6-methylphenyl)formamide;ethane;N-[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]-5-methyl-1,3-thiazol-2-amine is CC.CCN1CCN(c2cc(Nc3ncc(C)s3)nc(C)n2)CC1.Cc1cccc(Cl)c1NC=O.

What is the InChIKey of N-(2-chloro-6-methylphenyl)formamide;ethane;N-[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]-5-methyl-1,3-thiazol-2-amine?

The InChIKey is FIUYDWIJKVKLJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6S.C8H8ClNO.C2H6/c1-4-20-5-7-21(8-6-20)14-9-13(17-12(3)18-14)19-15-16-10-11(2)22-15;1-6-3-2-4-7(9)8(6)10-5-11;1-2/h9-10H,4-8H2,1-3H3,(H,16,17,18,19);2-5H,1H3,(H,10,11);1-2H3.

What are the key properties of N-(2-chloro-6-methylphenyl)formamide;ethane;N-[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]-5-methyl-1,3-thiazol-2-amine?

N-(2-chloro-6-methylphenyl)formamide;ethane;N-[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]-5-methyl-1,3-thiazol-2-amine has a molecular weight of 518.13 g/mol, XLogP of 5.68, 6 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)formamide;ethane;N-[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]-5-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 143229061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).