2-[4-(difluoromethoxy)anilino]-N-(2-ethoxyphenyl)-1,3-thiazole-4-carboxamide

C19H17F2N3O3S — CID 30860231

IUPAC2-[4-(difluoromethoxy)anilino]-N-(2-ethoxyphenyl)-1,3-thiazole-4-carboxamide
SMILESCCOc1ccccc1NC(=O)c1csc(Nc2ccc(OC(F)F)cc2)n1
InChIInChI=1S/C19H17F2N3O3S/c1-2-26-16-6-4-3-5-14(16)23-17(25)15-11-28-19(24-15)22-12-7-9-13(10-8-12)27-18(20)21/h3-11,18H,2H2,1H3,(H,22,24)(H,23,25)
InChIKeyQYTQMIDYKCHEEI-UHFFFAOYSA-N
MW405.43 g/mol
LogP5.14
Rot. Bonds8

About 2-[4-(difluoromethoxy)anilino]-N-(2-ethoxyphenyl)-1,3-thiazole-4-carboxamide

2-[4-(difluoromethoxy)anilino]-N-(2-ethoxyphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 30860231) has the molecular formula C19H17F2N3O3S and a molecular weight of 405.43 g/mol. Its IUPAC name is 2-[4-(difluoromethoxy)anilino]-N-(2-ethoxyphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[4-(difluoromethoxy)anilino]-N-(2-ethoxyphenyl)-1,3-thiazole-4-carboxamide
PubChem CID30860231
Molecular FormulaC19H17F2N3O3S
Molecular Weight405.43 g/mol
Exact Mass405.10
IUPAC Name2-[4-(difluoromethoxy)anilino]-N-(2-ethoxyphenyl)-1,3-thiazole-4-carboxamide
SMILESCCOc1ccccc1NC(=O)c1csc(Nc2ccc(OC(F)F)cc2)n1
InChIInChI=1S/C19H17F2N3O3S/c1-2-26-16-6-4-3-5-14(16)23-17(25)15-11-28-19(24-15)22-12-7-9-13(10-8-12)27-18(20)21/h3-11,18H,2H2,1H3,(H,22,24)(H,23,25)
InChIKeyQYTQMIDYKCHEEI-UHFFFAOYSA-N
XLogP5.14
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.43
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethoxy)anilino]-N-(2-ethoxyphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[4-(difluoromethoxy)anilino]-N-(2-ethoxyphenyl)-1,3-thiazole-4-carboxamide (CID 30860231) is 2-[4-(difluoromethoxy)anilino]-N-(2-ethoxyphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[4-(difluoromethoxy)anilino]-N-(2-ethoxyphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[4-(difluoromethoxy)anilino]-N-(2-ethoxyphenyl)-1,3-thiazole-4-carboxamide is CCOc1ccccc1NC(=O)c1csc(Nc2ccc(OC(F)F)cc2)n1.
What is the InChIKey of 2-[4-(difluoromethoxy)anilino]-N-(2-ethoxyphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is QYTQMIDYKCHEEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N3O3S/c1-2-26-16-6-4-3-5-14(16)23-17(25)15-11-28-19(24-15)22-12-7-9-13(10-8-12)27-18(20)21/h3-11,18H,2H2,1H3,(H,22,24)(H,23,25).
What are the key properties of 2-[4-(difluoromethoxy)anilino]-N-(2-ethoxyphenyl)-1,3-thiazole-4-carboxamide?
2-[4-(difluoromethoxy)anilino]-N-(2-ethoxyphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 405.43 g/mol, XLogP of 5.14, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethoxy)anilino]-N-(2-ethoxyphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 30860231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).