5-amino-3-(1,3-thiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide

C14H9F3N4O2S — CID 91474756

IUPAC5-amino-3-(1,3-thiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide
SMILESNc1onc(-c2nccs2)c1C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H9F3N4O2S/c15-14(16,17)7-2-1-3-8(6-7)20-12(22)9-10(21-23-11(9)18)13-19-4-5-24-13/h1-6H,18H2,(H,20,22)
InChIKeyRUDZSEUAMWBVFB-UHFFFAOYSA-N
MW354.31 g/mol
LogP3.65
Rot. Bonds3

About 5-amino-3-(1,3-thiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide

5-amino-3-(1,3-thiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide (PubChem CID 91474756) has the molecular formula C14H9F3N4O2S and a molecular weight of 354.31 g/mol. Its IUPAC name is 5-amino-3-(1,3-thiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-3-(1,3-thiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide
PubChem CID91474756
Molecular FormulaC14H9F3N4O2S
Molecular Weight354.31 g/mol
Exact Mass354.04
IUPAC Name5-amino-3-(1,3-thiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide
SMILESNc1onc(-c2nccs2)c1C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H9F3N4O2S/c15-14(16,17)7-2-1-3-8(6-7)20-12(22)9-10(21-23-11(9)18)13-19-4-5-24-13/h1-6H,18H2,(H,20,22)
InChIKeyRUDZSEUAMWBVFB-UHFFFAOYSA-N
XLogP3.65
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.31
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 90687569
CID 90687569
CID 91169921
CID 91169921
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CID 91343042
CID 142773843
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CID 142773911
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CID 142773934
CID 142773934

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(1,3-thiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-amino-3-(1,3-thiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide (CID 91474756) is 5-amino-3-(1,3-thiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-amino-3-(1,3-thiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-amino-3-(1,3-thiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide is Nc1onc(-c2nccs2)c1C(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 5-amino-3-(1,3-thiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide?
The InChIKey is RUDZSEUAMWBVFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N4O2S/c15-14(16,17)7-2-1-3-8(6-7)20-12(22)9-10(21-23-11(9)18)13-19-4-5-24-13/h1-6H,18H2,(H,20,22).
What are the key properties of 5-amino-3-(1,3-thiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide?
5-amino-3-(1,3-thiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide has a molecular weight of 354.31 g/mol, XLogP of 3.65, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(1,3-thiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 91474756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).