5-(aminomethyl)-N-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]-1,2-thiazole-4-carboxamide

C17H13F3N4O2S — CID 118278600

IUPAC5-(aminomethyl)-N-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]-1,2-thiazole-4-carboxamide
SMILESNCc1sncc1C(=O)Nc1ccc(Oc2cccc(C(F)(F)F)c2)nc1
InChIInChI=1S/C17H13F3N4O2S/c18-17(19,20)10-2-1-3-12(6-10)26-15-5-4-11(8-22-15)24-16(25)13-9-23-27-14(13)7-21/h1-6,8-9H,7,21H2,(H,24,25)
InChIKeyGKHQOZYCVVSORI-UHFFFAOYSA-N
MW394.38 g/mol
LogP4.06
Rot. Bonds5

About 5-(aminomethyl)-N-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]-1,2-thiazole-4-carboxamide

5-(aminomethyl)-N-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]-1,2-thiazole-4-carboxamide (PubChem CID 118278600) has the molecular formula C17H13F3N4O2S and a molecular weight of 394.38 g/mol. Its IUPAC name is 5-(aminomethyl)-N-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]-1,2-thiazole-4-carboxamide
PubChem CID118278600
Molecular FormulaC17H13F3N4O2S
Molecular Weight394.38 g/mol
Exact Mass394.07
IUPAC Name5-(aminomethyl)-N-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]-1,2-thiazole-4-carboxamide
SMILESNCc1sncc1C(=O)Nc1ccc(Oc2cccc(C(F)(F)F)c2)nc1
InChIInChI=1S/C17H13F3N4O2S/c18-17(19,20)10-2-1-3-12(6-10)26-15-5-4-11(8-22-15)24-16(25)13-9-23-27-14(13)7-21/h1-6,8-9H,7,21H2,(H,24,25)
InChIKeyGKHQOZYCVVSORI-UHFFFAOYSA-N
XLogP4.06
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.38
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-oxo-5-[[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]amino]pentanoic acid
CID 2814195
(2R)-2-bromo-N-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]propanamide
CID 7004327
2,6-dichloro-N-[[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]carbamoyl]benzamide
CID 12912760
1-[4-(1,1-difluoropropylsulfanyl)phenyl]-3-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]urea
CID 178016657
2-chloro-6-methoxy-N-[[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]carbamoyl]benzamide
CID 12912838
N-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]prop-2-enamide
CID 166924916
N-[6-(3-fluorophenoxy)-3-pyridinyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 75375551
N-[[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]ethanamine
CID 62291138
(E)-2-methyl-3-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]prop-2-enoic acid
CID 170873343
N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-[3-(trifluoromethyl)anilino]acetamide
CID 56545552
1-amino-N-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119878537
2-methoxy-N-[6-(3-methylphenoxy)-3-pyridinyl]benzamide
CID 42878441

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]-1,2-thiazole-4-carboxamide?
The IUPAC name of 5-(aminomethyl)-N-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]-1,2-thiazole-4-carboxamide (CID 118278600) is 5-(aminomethyl)-N-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 5-(aminomethyl)-N-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]-1,2-thiazole-4-carboxamide?
The canonical SMILES for 5-(aminomethyl)-N-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]-1,2-thiazole-4-carboxamide is NCc1sncc1C(=O)Nc1ccc(Oc2cccc(C(F)(F)F)c2)nc1.
What is the InChIKey of 5-(aminomethyl)-N-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]-1,2-thiazole-4-carboxamide?
The InChIKey is GKHQOZYCVVSORI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N4O2S/c18-17(19,20)10-2-1-3-12(6-10)26-15-5-4-11(8-22-15)24-16(25)13-9-23-27-14(13)7-21/h1-6,8-9H,7,21H2,(H,24,25).
What are the key properties of 5-(aminomethyl)-N-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]-1,2-thiazole-4-carboxamide?
5-(aminomethyl)-N-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]-1,2-thiazole-4-carboxamide has a molecular weight of 394.38 g/mol, XLogP of 4.06, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 118278600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).