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

C17H14F2N4O2S — CID 30860195

IUPAC2-[4-(difluoromethoxy)anilino]-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide
SMILESO=C(NCc1ccccn1)c1csc(Nc2ccc(OC(F)F)cc2)n1
InChIInChI=1S/C17H14F2N4O2S/c18-16(19)25-13-6-4-11(5-7-13)22-17-23-14(10-26-17)15(24)21-9-12-3-1-2-8-20-12/h1-8,10,16H,9H2,(H,21,24)(H,22,23)
InChIKeyKKKCDEZZYAUYRI-UHFFFAOYSA-N
MW376.39 g/mol
LogP3.81
Rot. Bonds7

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

2-[4-(difluoromethoxy)anilino]-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide (PubChem CID 30860195) has the molecular formula C17H14F2N4O2S and a molecular weight of 376.39 g/mol. Its IUPAC name is 2-[4-(difluoromethoxy)anilino]-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[4-(difluoromethoxy)anilino]-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide
PubChem CID30860195
Molecular FormulaC17H14F2N4O2S
Molecular Weight376.39 g/mol
Exact Mass376.08
IUPAC Name2-[4-(difluoromethoxy)anilino]-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide
SMILESO=C(NCc1ccccn1)c1csc(Nc2ccc(OC(F)F)cc2)n1
InChIInChI=1S/C17H14F2N4O2S/c18-16(19)25-13-6-4-11(5-7-13)22-17-23-14(10-26-17)15(24)21-9-12-3-1-2-8-20-12/h1-8,10,16H,9H2,(H,21,24)(H,22,23)
InChIKeyKKKCDEZZYAUYRI-UHFFFAOYSA-N
XLogP3.81
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.39
LogP ≤ 53.81
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-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[4-(difluoromethoxy)anilino]-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide (CID 30860195) is 2-[4-(difluoromethoxy)anilino]-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[4-(difluoromethoxy)anilino]-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[4-(difluoromethoxy)anilino]-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide is O=C(NCc1ccccn1)c1csc(Nc2ccc(OC(F)F)cc2)n1.
What is the InChIKey of 2-[4-(difluoromethoxy)anilino]-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is KKKCDEZZYAUYRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N4O2S/c18-16(19)25-13-6-4-11(5-7-13)22-17-23-14(10-26-17)15(24)21-9-12-3-1-2-8-20-12/h1-8,10,16H,9H2,(H,21,24)(H,22,23).
What are the key properties of 2-[4-(difluoromethoxy)anilino]-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide?
2-[4-(difluoromethoxy)anilino]-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 376.39 g/mol, XLogP of 3.81, 7 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-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 30860195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).