4-amino-N-(5-methyl-1,2-oxazol-3-yl)-2-[3-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxamide

C15H12F3N5O2S — CID 655496

IUPAC4-amino-N-(5-methyl-1,2-oxazol-3-yl)-2-[3-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxamide
SMILESCc1cc(NC(=O)c2sc(Nc3cccc(C(F)(F)F)c3)nc2N)no1
InChIInChI=1S/C15H12F3N5O2S/c1-7-5-10(23-25-7)21-13(24)11-12(19)22-14(26-11)20-9-4-2-3-8(6-9)15(16,17)18/h2-6H,19H2,1H3,(H,20,22)(H,21,23,24)
InChIKeyAVZWOIAXUTXMFW-UHFFFAOYSA-N
MW383.36 g/mol
LogP4.04
Rot. Bonds4

About 4-amino-N-(5-methyl-1,2-oxazol-3-yl)-2-[3-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxamide

4-amino-N-(5-methyl-1,2-oxazol-3-yl)-2-[3-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxamide (PubChem CID 655496) has the molecular formula C15H12F3N5O2S and a molecular weight of 383.36 g/mol. Its IUPAC name is 4-amino-N-(5-methyl-1,2-oxazol-3-yl)-2-[3-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(5-methyl-1,2-oxazol-3-yl)-2-[3-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxamide
PubChem CID655496
Molecular FormulaC15H12F3N5O2S
Molecular Weight383.36 g/mol
Exact Mass383.07
IUPAC Name4-amino-N-(5-methyl-1,2-oxazol-3-yl)-2-[3-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxamide
SMILESCc1cc(NC(=O)c2sc(Nc3cccc(C(F)(F)F)c3)nc2N)no1
InChIInChI=1S/C15H12F3N5O2S/c1-7-5-10(23-25-7)21-13(24)11-12(19)22-14(26-11)20-9-4-2-3-8(6-9)15(16,17)18/h2-6H,19H2,1H3,(H,20,22)(H,21,23,24)
InChIKeyAVZWOIAXUTXMFW-UHFFFAOYSA-N
XLogP4.04
TPSA106.07 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.36
LogP ≤ 54.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(5-methyl-1,2-oxazol-3-yl)-2-[3-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-(5-methyl-1,2-oxazol-3-yl)-2-[3-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxamide (CID 655496) is 4-amino-N-(5-methyl-1,2-oxazol-3-yl)-2-[3-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(5-methyl-1,2-oxazol-3-yl)-2-[3-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(5-methyl-1,2-oxazol-3-yl)-2-[3-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxamide is Cc1cc(NC(=O)c2sc(Nc3cccc(C(F)(F)F)c3)nc2N)no1.
What is the InChIKey of 4-amino-N-(5-methyl-1,2-oxazol-3-yl)-2-[3-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxamide?
The InChIKey is AVZWOIAXUTXMFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N5O2S/c1-7-5-10(23-25-7)21-13(24)11-12(19)22-14(26-11)20-9-4-2-3-8(6-9)15(16,17)18/h2-6H,19H2,1H3,(H,20,22)(H,21,23,24).
What are the key properties of 4-amino-N-(5-methyl-1,2-oxazol-3-yl)-2-[3-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxamide?
4-amino-N-(5-methyl-1,2-oxazol-3-yl)-2-[3-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxamide has a molecular weight of 383.36 g/mol, XLogP of 4.04, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(5-methyl-1,2-oxazol-3-yl)-2-[3-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 655496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).