4-(pyridin-4-ylmethylamino)-N-[3-(trifluoromethoxy)phenyl]-1,2-thiazole-3-carboxamide

C17H13F3N4O2S — CID 44591374

IUPAC4-(pyridin-4-ylmethylamino)-N-[3-(trifluoromethoxy)phenyl]-1,2-thiazole-3-carboxamide
SMILESO=C(Nc1cccc(OC(F)(F)F)c1)c1nscc1NCc1ccncc1
InChIInChI=1S/C17H13F3N4O2S/c18-17(19,20)26-13-3-1-2-12(8-13)23-16(25)15-14(10-27-24-15)22-9-11-4-6-21-7-5-11/h1-8,10,22H,9H2,(H,23,25)
InChIKeyHPQJCFJZSWQYAT-UHFFFAOYSA-N
MW394.38 g/mol
LogP4.30
Rot. Bonds6

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

4-(pyridin-4-ylmethylamino)-N-[3-(trifluoromethoxy)phenyl]-1,2-thiazole-3-carboxamide (PubChem CID 44591374) has the molecular formula C17H13F3N4O2S and a molecular weight of 394.38 g/mol. Its IUPAC name is 4-(pyridin-4-ylmethylamino)-N-[3-(trifluoromethoxy)phenyl]-1,2-thiazole-3-carboxamide.

Molecular Properties

Compound Name4-(pyridin-4-ylmethylamino)-N-[3-(trifluoromethoxy)phenyl]-1,2-thiazole-3-carboxamide
PubChem CID44591374
Molecular FormulaC17H13F3N4O2S
Molecular Weight394.38 g/mol
Exact Mass394.07
IUPAC Name4-(pyridin-4-ylmethylamino)-N-[3-(trifluoromethoxy)phenyl]-1,2-thiazole-3-carboxamide
SMILESO=C(Nc1cccc(OC(F)(F)F)c1)c1nscc1NCc1ccncc1
InChIInChI=1S/C17H13F3N4O2S/c18-17(19,20)26-13-3-1-2-12(8-13)23-16(25)15-14(10-27-24-15)22-9-11-4-6-21-7-5-11/h1-8,10,22H,9H2,(H,23,25)
InChIKeyHPQJCFJZSWQYAT-UHFFFAOYSA-N
XLogP4.30
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 ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-(pyridin-4-ylmethylamino)-N-[3-(trifluoromethoxy)phenyl]-1,2-thiazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(pyridin-4-ylmethylamino)-N-[3-(trifluoromethoxy)phenyl]-1,2-thiazole-3-carboxamide?
The IUPAC name of 4-(pyridin-4-ylmethylamino)-N-[3-(trifluoromethoxy)phenyl]-1,2-thiazole-3-carboxamide (CID 44591374) is 4-(pyridin-4-ylmethylamino)-N-[3-(trifluoromethoxy)phenyl]-1,2-thiazole-3-carboxamide.
What is the SMILES notation for 4-(pyridin-4-ylmethylamino)-N-[3-(trifluoromethoxy)phenyl]-1,2-thiazole-3-carboxamide?
The canonical SMILES for 4-(pyridin-4-ylmethylamino)-N-[3-(trifluoromethoxy)phenyl]-1,2-thiazole-3-carboxamide is O=C(Nc1cccc(OC(F)(F)F)c1)c1nscc1NCc1ccncc1.
What is the InChIKey of 4-(pyridin-4-ylmethylamino)-N-[3-(trifluoromethoxy)phenyl]-1,2-thiazole-3-carboxamide?
The InChIKey is HPQJCFJZSWQYAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N4O2S/c18-17(19,20)26-13-3-1-2-12(8-13)23-16(25)15-14(10-27-24-15)22-9-11-4-6-21-7-5-11/h1-8,10,22H,9H2,(H,23,25).
What are the key properties of 4-(pyridin-4-ylmethylamino)-N-[3-(trifluoromethoxy)phenyl]-1,2-thiazole-3-carboxamide?
4-(pyridin-4-ylmethylamino)-N-[3-(trifluoromethoxy)phenyl]-1,2-thiazole-3-carboxamide has a molecular weight of 394.38 g/mol, XLogP of 4.30, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pyridin-4-ylmethylamino)-N-[3-(trifluoromethoxy)phenyl]-1,2-thiazole-3-carboxamide is sourced from PubChem (CID 44591374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).