methyl 2-(ethylcarbamoylamino)-5-(5-methoxycarbonyl-3-pyridinyl)-4-[5-(2-methoxyethylcarbamoyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridine-3-carboxylate

C25H25F3N6O7S — CID 67057183

IUPACmethyl 2-(ethylcarbamoylamino)-5-(5-methoxycarbonyl-3-pyridinyl)-4-[5-(2-methoxyethylcarbamoyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridine-3-carboxylate
SMILESCCNC(=O)Nc1ncc(-c2cncc(C(=O)OC)c2)c(-c2nc(C(F)(F)F)c(C(=O)NCCOC)s2)c1C(=O)OC
InChIInChI=1S/C25H25F3N6O7S/c1-5-30-24(38)34-19-16(23(37)41-4)15(14(11-32-19)12-8-13(10-29-9-12)22(36)40-3)21-33-18(25(26,27)28)17(42-21)20(35)31-6-7-39-2/h8-11H,5-7H2,1-4H3,(H,31,35)(H2,30,32,34,38)
InChIKeyAHZPCWVHCRRKSO-UHFFFAOYSA-N
MW610.57 g/mol
LogP3.38
Rot. Bonds10

About methyl 2-(ethylcarbamoylamino)-5-(5-methoxycarbonyl-3-pyridinyl)-4-[5-(2-methoxyethylcarbamoyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridine-3-carboxylate

methyl 2-(ethylcarbamoylamino)-5-(5-methoxycarbonyl-3-pyridinyl)-4-[5-(2-methoxyethylcarbamoyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridine-3-carboxylate (PubChem CID 67057183) has the molecular formula C25H25F3N6O7S and a molecular weight of 610.57 g/mol. Its IUPAC name is methyl 2-(ethylcarbamoylamino)-5-(5-methoxycarbonyl-3-pyridinyl)-4-[5-(2-methoxyethylcarbamoyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-(ethylcarbamoylamino)-5-(5-methoxycarbonyl-3-pyridinyl)-4-[5-(2-methoxyethylcarbamoyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridine-3-carboxylate
PubChem CID67057183
Molecular FormulaC25H25F3N6O7S
Molecular Weight610.57 g/mol
Exact Mass610.15
IUPAC Namemethyl 2-(ethylcarbamoylamino)-5-(5-methoxycarbonyl-3-pyridinyl)-4-[5-(2-methoxyethylcarbamoyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridine-3-carboxylate
SMILESCCNC(=O)Nc1ncc(-c2cncc(C(=O)OC)c2)c(-c2nc(C(F)(F)F)c(C(=O)NCCOC)s2)c1C(=O)OC
InChIInChI=1S/C25H25F3N6O7S/c1-5-30-24(38)34-19-16(23(37)41-4)15(14(11-32-19)12-8-13(10-29-9-12)22(36)40-3)21-33-18(25(26,27)28)17(42-21)20(35)31-6-7-39-2/h8-11H,5-7H2,1-4H3,(H,31,35)(H2,30,32,34,38)
InChIKeyAHZPCWVHCRRKSO-UHFFFAOYSA-N
XLogP3.38
TPSA170.73 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.57
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze methyl 2-(ethylcarbamoylamino)-5-(5-methoxycarbonyl-3-pyridinyl)-4-[5-(2-methoxyethylcarbamoyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridine-3-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(ethylcarbamoylamino)-5-(5-methoxycarbonyl-3-pyridinyl)-4-[5-(2-methoxyethylcarbamoyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridine-3-carboxylate?
The IUPAC name of methyl 2-(ethylcarbamoylamino)-5-(5-methoxycarbonyl-3-pyridinyl)-4-[5-(2-methoxyethylcarbamoyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridine-3-carboxylate (CID 67057183) is methyl 2-(ethylcarbamoylamino)-5-(5-methoxycarbonyl-3-pyridinyl)-4-[5-(2-methoxyethylcarbamoyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-(ethylcarbamoylamino)-5-(5-methoxycarbonyl-3-pyridinyl)-4-[5-(2-methoxyethylcarbamoyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridine-3-carboxylate?
The canonical SMILES for methyl 2-(ethylcarbamoylamino)-5-(5-methoxycarbonyl-3-pyridinyl)-4-[5-(2-methoxyethylcarbamoyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridine-3-carboxylate is CCNC(=O)Nc1ncc(-c2cncc(C(=O)OC)c2)c(-c2nc(C(F)(F)F)c(C(=O)NCCOC)s2)c1C(=O)OC.
What is the InChIKey of methyl 2-(ethylcarbamoylamino)-5-(5-methoxycarbonyl-3-pyridinyl)-4-[5-(2-methoxyethylcarbamoyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridine-3-carboxylate?
The InChIKey is AHZPCWVHCRRKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F3N6O7S/c1-5-30-24(38)34-19-16(23(37)41-4)15(14(11-32-19)12-8-13(10-29-9-12)22(36)40-3)21-33-18(25(26,27)28)17(42-21)20(35)31-6-7-39-2/h8-11H,5-7H2,1-4H3,(H,31,35)(H2,30,32,34,38).
What are the key properties of methyl 2-(ethylcarbamoylamino)-5-(5-methoxycarbonyl-3-pyridinyl)-4-[5-(2-methoxyethylcarbamoyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridine-3-carboxylate?
methyl 2-(ethylcarbamoylamino)-5-(5-methoxycarbonyl-3-pyridinyl)-4-[5-(2-methoxyethylcarbamoyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridine-3-carboxylate has a molecular weight of 610.57 g/mol, XLogP of 3.38, 10 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(ethylcarbamoylamino)-5-(5-methoxycarbonyl-3-pyridinyl)-4-[5-(2-methoxyethylcarbamoyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridine-3-carboxylate is sourced from PubChem (CID 67057183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).