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

C17H13F3N4O2S — CID 16955225

IUPACN-(pyridin-2-ylmethyl)-2-[4-(trifluoromethoxy)anilino]-1,3-thiazole-4-carboxamide
SMILESO=C(NCc1ccccn1)c1csc(Nc2ccc(OC(F)(F)F)cc2)n1
InChIInChI=1S/C17H13F3N4O2S/c18-17(19,20)26-13-6-4-11(5-7-13)23-16-24-14(10-27-16)15(25)22-9-12-3-1-2-8-21-12/h1-8,10H,9H2,(H,22,25)(H,23,24)
InChIKeyXBJLPKHEUNEAPZ-UHFFFAOYSA-N
MW394.38 g/mol
LogP4.11
Rot. Bonds6

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

N-(pyridin-2-ylmethyl)-2-[4-(trifluoromethoxy)anilino]-1,3-thiazole-4-carboxamide (PubChem CID 16955225) has the molecular formula C17H13F3N4O2S and a molecular weight of 394.38 g/mol. Its IUPAC name is N-(pyridin-2-ylmethyl)-2-[4-(trifluoromethoxy)anilino]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(pyridin-2-ylmethyl)-2-[4-(trifluoromethoxy)anilino]-1,3-thiazole-4-carboxamide
PubChem CID16955225
Molecular FormulaC17H13F3N4O2S
Molecular Weight394.38 g/mol
Exact Mass394.07
IUPAC NameN-(pyridin-2-ylmethyl)-2-[4-(trifluoromethoxy)anilino]-1,3-thiazole-4-carboxamide
SMILESO=C(NCc1ccccn1)c1csc(Nc2ccc(OC(F)(F)F)cc2)n1
InChIInChI=1S/C17H13F3N4O2S/c18-17(19,20)26-13-6-4-11(5-7-13)23-16-24-14(10-27-16)15(25)22-9-12-3-1-2-8-21-12/h1-8,10H,9H2,(H,22,25)(H,23,24)
InChIKeyXBJLPKHEUNEAPZ-UHFFFAOYSA-N
XLogP4.11
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.38
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(pyridin-2-ylmethyl)-2-[4-(trifluoromethoxy)anilino]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(pyridin-2-ylmethyl)-2-[4-(trifluoromethoxy)anilino]-1,3-thiazole-4-carboxamide (CID 16955225) is N-(pyridin-2-ylmethyl)-2-[4-(trifluoromethoxy)anilino]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(pyridin-2-ylmethyl)-2-[4-(trifluoromethoxy)anilino]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(pyridin-2-ylmethyl)-2-[4-(trifluoromethoxy)anilino]-1,3-thiazole-4-carboxamide is O=C(NCc1ccccn1)c1csc(Nc2ccc(OC(F)(F)F)cc2)n1.
What is the InChIKey of N-(pyridin-2-ylmethyl)-2-[4-(trifluoromethoxy)anilino]-1,3-thiazole-4-carboxamide?
The InChIKey is XBJLPKHEUNEAPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N4O2S/c18-17(19,20)26-13-6-4-11(5-7-13)23-16-24-14(10-27-16)15(25)22-9-12-3-1-2-8-21-12/h1-8,10H,9H2,(H,22,25)(H,23,24).
What are the key properties of N-(pyridin-2-ylmethyl)-2-[4-(trifluoromethoxy)anilino]-1,3-thiazole-4-carboxamide?
N-(pyridin-2-ylmethyl)-2-[4-(trifluoromethoxy)anilino]-1,3-thiazole-4-carboxamide has a molecular weight of 394.38 g/mol, XLogP of 4.11, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-2-ylmethyl)-2-[4-(trifluoromethoxy)anilino]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 16955225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).