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

C12H10F3N3OS — CID 13073259

IUPAC4-amino-N-methyl-3-[3-(trifluoromethyl)phenyl]-1,2-thiazole-5-carboxamide
SMILESCNC(=O)c1snc(-c2cccc(C(F)(F)F)c2)c1N
InChIInChI=1S/C12H10F3N3OS/c1-17-11(19)10-8(16)9(18-20-10)6-3-2-4-7(5-6)12(13,14)15/h2-5H,16H2,1H3,(H,17,19)
InChIKeyAUTCCIXUWQLSNB-UHFFFAOYSA-N
MW301.29 g/mol
LogP2.77
Rot. Bonds2

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

4-amino-N-methyl-3-[3-(trifluoromethyl)phenyl]-1,2-thiazole-5-carboxamide (PubChem CID 13073259) has the molecular formula C12H10F3N3OS and a molecular weight of 301.29 g/mol. Its IUPAC name is 4-amino-N-methyl-3-[3-(trifluoromethyl)phenyl]-1,2-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-methyl-3-[3-(trifluoromethyl)phenyl]-1,2-thiazole-5-carboxamide
PubChem CID13073259
Molecular FormulaC12H10F3N3OS
Molecular Weight301.29 g/mol
Exact Mass301.05
IUPAC Name4-amino-N-methyl-3-[3-(trifluoromethyl)phenyl]-1,2-thiazole-5-carboxamide
SMILESCNC(=O)c1snc(-c2cccc(C(F)(F)F)c2)c1N
InChIInChI=1S/C12H10F3N3OS/c1-17-11(19)10-8(16)9(18-20-10)6-3-2-4-7(5-6)12(13,14)15/h2-5H,16H2,1H3,(H,17,19)
InChIKeyAUTCCIXUWQLSNB-UHFFFAOYSA-N
XLogP2.77
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.29
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-3-[3-(trifluoromethyl)phenyl]-1,2-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-methyl-3-[3-(trifluoromethyl)phenyl]-1,2-thiazole-5-carboxamide (CID 13073259) is 4-amino-N-methyl-3-[3-(trifluoromethyl)phenyl]-1,2-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-methyl-3-[3-(trifluoromethyl)phenyl]-1,2-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-methyl-3-[3-(trifluoromethyl)phenyl]-1,2-thiazole-5-carboxamide is CNC(=O)c1snc(-c2cccc(C(F)(F)F)c2)c1N.
What is the InChIKey of 4-amino-N-methyl-3-[3-(trifluoromethyl)phenyl]-1,2-thiazole-5-carboxamide?
The InChIKey is AUTCCIXUWQLSNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3OS/c1-17-11(19)10-8(16)9(18-20-10)6-3-2-4-7(5-6)12(13,14)15/h2-5H,16H2,1H3,(H,17,19).
What are the key properties of 4-amino-N-methyl-3-[3-(trifluoromethyl)phenyl]-1,2-thiazole-5-carboxamide?
4-amino-N-methyl-3-[3-(trifluoromethyl)phenyl]-1,2-thiazole-5-carboxamide has a molecular weight of 301.29 g/mol, XLogP of 2.77, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-3-[3-(trifluoromethyl)phenyl]-1,2-thiazole-5-carboxamide is sourced from PubChem (CID 13073259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).