N-[[2-[(3,4-dichlorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N,4-dimethyl-2-pyrazin-2-yl-1,3-thiazole-5-carboxamide

C22H19Cl2N7O2S2 — CID 25205994

About N-[[2-[(3,4-dichlorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N,4-dimethyl-2-pyrazin-2-yl-1,3-thiazole-5-carboxamide

N-[[2-[(3,4-dichlorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N,4-dimethyl-2-pyrazin-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 25205994) has the molecular formula C22H19Cl2N7O2S2 and a molecular weight of 548.48 g/mol. Its IUPAC name is N-[[2-[(3,4-dichlorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N,4-dimethyl-2-pyrazin-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[[2-[(3,4-dichlorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N,4-dimethyl-2-pyrazin-2-yl-1,3-thiazole-5-carboxamide
• PubChem CID: 25205994
• Molecular Formula: C22H19Cl2N7O2S2
• Molecular Weight: 548.48 g/mol
• Exact Mass: 547.04
• IUPAC Name: N-[[2-[(3,4-dichlorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N,4-dimethyl-2-pyrazin-2-yl-1,3-thiazole-5-carboxamide
• SMILES: Cc1nc(-c2cnccn2)sc1C(=O)N(C)Cc1csc(NC(=O)NCc2ccc(Cl)c(Cl)c2)n1
• InChI: InChI=1S/C22H19Cl2N7O2S2/c1-12-18(35-19(28-12)17-9-25-5-6-26-17)20(32)31(2)10-14-11-34-22(29-14)30-21(33)27-8-13-3-4-15(23)16(24)7-13/h3-7,9,11H,8,10H2,1-2H3,(H2,27,29,30,33)
• InChIKey: BCOXPBDWFMPVRR-UHFFFAOYSA-N
• XLogP: 5.27
• TPSA: 113.00 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	548.48
LogP ≤ 5	5.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(3,4-dichlorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N,4-dimethyl-2-pyrazin-2-yl-1,3-thiazole-5-carboxamide?

The IUPAC name of N-[[2-[(3,4-dichlorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N,4-dimethyl-2-pyrazin-2-yl-1,3-thiazole-5-carboxamide (CID 25205994) is N-[[2-[(3,4-dichlorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N,4-dimethyl-2-pyrazin-2-yl-1,3-thiazole-5-carboxamide.

What is the SMILES notation for N-[[2-[(3,4-dichlorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N,4-dimethyl-2-pyrazin-2-yl-1,3-thiazole-5-carboxamide?

The canonical SMILES for N-[[2-[(3,4-dichlorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N,4-dimethyl-2-pyrazin-2-yl-1,3-thiazole-5-carboxamide is Cc1nc(-c2cnccn2)sc1C(=O)N(C)Cc1csc(NC(=O)NCc2ccc(Cl)c(Cl)c2)n1.

What is the InChIKey of N-[[2-[(3,4-dichlorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N,4-dimethyl-2-pyrazin-2-yl-1,3-thiazole-5-carboxamide?

The InChIKey is BCOXPBDWFMPVRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19Cl2N7O2S2/c1-12-18(35-19(28-12)17-9-25-5-6-26-17)20(32)31(2)10-14-11-34-22(29-14)30-21(33)27-8-13-3-4-15(23)16(24)7-13/h3-7,9,11H,8,10H2,1-2H3,(H2,27,29,30,33).

What are the key properties of N-[[2-[(3,4-dichlorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N,4-dimethyl-2-pyrazin-2-yl-1,3-thiazole-5-carboxamide?

N-[[2-[(3,4-dichlorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N,4-dimethyl-2-pyrazin-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 548.48 g/mol, XLogP of 5.27, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[2-[(3,4-dichlorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N,4-dimethyl-2-pyrazin-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 25205994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).