5-(3,5-difluoroanilino)-N-[1-(2-methoxyethyl)pyrazol-3-yl]-2-methyl-1,3-thiazole-4-carboxamide

C17H17F2N5O2S — CID 69350584

IUPAC5-(3,5-difluoroanilino)-N-[1-(2-methoxyethyl)pyrazol-3-yl]-2-methyl-1,3-thiazole-4-carboxamide
SMILESCOCCn1ccc(NC(=O)c2nc(C)sc2Nc2cc(F)cc(F)c2)n1
InChIInChI=1S/C17H17F2N5O2S/c1-10-20-15(16(25)22-14-3-4-24(23-14)5-6-26-2)17(27-10)21-13-8-11(18)7-12(19)9-13/h3-4,7-9,21H,5-6H2,1-2H3,(H,22,23,25)
InChIKeyAZRKOHBZCSOJTB-UHFFFAOYSA-N
MW393.42 g/mol
LogP3.57
Rot. Bonds7

About 5-(3,5-difluoroanilino)-N-[1-(2-methoxyethyl)pyrazol-3-yl]-2-methyl-1,3-thiazole-4-carboxamide

5-(3,5-difluoroanilino)-N-[1-(2-methoxyethyl)pyrazol-3-yl]-2-methyl-1,3-thiazole-4-carboxamide (PubChem CID 69350584) has the molecular formula C17H17F2N5O2S and a molecular weight of 393.42 g/mol. Its IUPAC name is 5-(3,5-difluoroanilino)-N-[1-(2-methoxyethyl)pyrazol-3-yl]-2-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-(3,5-difluoroanilino)-N-[1-(2-methoxyethyl)pyrazol-3-yl]-2-methyl-1,3-thiazole-4-carboxamide
PubChem CID69350584
Molecular FormulaC17H17F2N5O2S
Molecular Weight393.42 g/mol
Exact Mass393.11
IUPAC Name5-(3,5-difluoroanilino)-N-[1-(2-methoxyethyl)pyrazol-3-yl]-2-methyl-1,3-thiazole-4-carboxamide
SMILESCOCCn1ccc(NC(=O)c2nc(C)sc2Nc2cc(F)cc(F)c2)n1
InChIInChI=1S/C17H17F2N5O2S/c1-10-20-15(16(25)22-14-3-4-24(23-14)5-6-26-2)17(27-10)21-13-8-11(18)7-12(19)9-13/h3-4,7-9,21H,5-6H2,1-2H3,(H,22,23,25)
InChIKeyAZRKOHBZCSOJTB-UHFFFAOYSA-N
XLogP3.57
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.42
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-difluoroanilino)-N-[1-(2-methoxyethyl)pyrazol-3-yl]-2-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 5-(3,5-difluoroanilino)-N-[1-(2-methoxyethyl)pyrazol-3-yl]-2-methyl-1,3-thiazole-4-carboxamide (CID 69350584) is 5-(3,5-difluoroanilino)-N-[1-(2-methoxyethyl)pyrazol-3-yl]-2-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 5-(3,5-difluoroanilino)-N-[1-(2-methoxyethyl)pyrazol-3-yl]-2-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 5-(3,5-difluoroanilino)-N-[1-(2-methoxyethyl)pyrazol-3-yl]-2-methyl-1,3-thiazole-4-carboxamide is COCCn1ccc(NC(=O)c2nc(C)sc2Nc2cc(F)cc(F)c2)n1.
What is the InChIKey of 5-(3,5-difluoroanilino)-N-[1-(2-methoxyethyl)pyrazol-3-yl]-2-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is AZRKOHBZCSOJTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N5O2S/c1-10-20-15(16(25)22-14-3-4-24(23-14)5-6-26-2)17(27-10)21-13-8-11(18)7-12(19)9-13/h3-4,7-9,21H,5-6H2,1-2H3,(H,22,23,25).
What are the key properties of 5-(3,5-difluoroanilino)-N-[1-(2-methoxyethyl)pyrazol-3-yl]-2-methyl-1,3-thiazole-4-carboxamide?
5-(3,5-difluoroanilino)-N-[1-(2-methoxyethyl)pyrazol-3-yl]-2-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 393.42 g/mol, XLogP of 3.57, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-difluoroanilino)-N-[1-(2-methoxyethyl)pyrazol-3-yl]-2-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 69350584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).