3-amino-N-methyl-5-(2,2,2-trifluoroethylamino)-1,2-thiazole-4-carboxamide

C7H9F3N4OS — CID 103382526

IUPAC3-amino-N-methyl-5-(2,2,2-trifluoroethylamino)-1,2-thiazole-4-carboxamide
SMILESCNC(=O)c1c(N)nsc1NCC(F)(F)F
InChIInChI=1S/C7H9F3N4OS/c1-12-5(15)3-4(11)14-16-6(3)13-2-7(8,9)10/h13H,2H2,1H3,(H2,11,14)(H,12,15)
InChIKeyVDGUDUJAJMPGKY-UHFFFAOYSA-N
MW254.24 g/mol
LogP1.06
Rot. Bonds3

About 3-amino-N-methyl-5-(2,2,2-trifluoroethylamino)-1,2-thiazole-4-carboxamide

3-amino-N-methyl-5-(2,2,2-trifluoroethylamino)-1,2-thiazole-4-carboxamide (PubChem CID 103382526) has the molecular formula C7H9F3N4OS and a molecular weight of 254.24 g/mol. Its IUPAC name is 3-amino-N-methyl-5-(2,2,2-trifluoroethylamino)-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-N-methyl-5-(2,2,2-trifluoroethylamino)-1,2-thiazole-4-carboxamide
PubChem CID103382526
Molecular FormulaC7H9F3N4OS
Molecular Weight254.24 g/mol
Exact Mass254.04
IUPAC Name3-amino-N-methyl-5-(2,2,2-trifluoroethylamino)-1,2-thiazole-4-carboxamide
SMILESCNC(=O)c1c(N)nsc1NCC(F)(F)F
InChIInChI=1S/C7H9F3N4OS/c1-12-5(15)3-4(11)14-16-6(3)13-2-7(8,9)10/h13H,2H2,1H3,(H2,11,14)(H,12,15)
InChIKeyVDGUDUJAJMPGKY-UHFFFAOYSA-N
XLogP1.06
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-5-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-N-methyl-1,2-thiazole-4-carboxamide
CID 106259045
3-amino-5-(2-methoxyethylamino)-N-methyl-1,2-thiazole-4-carboxamide
CID 103382263
3-amino-5-(3-hydroxypropylamino)-N-methyl-1,2-thiazole-4-carboxamide
CID 103382715
3-amino-5-(cyclopentylmethylamino)-N-methyl-1,2-thiazole-4-carboxamide
CID 103382838
3-amino-N-methyl-5-[(2-methyl-3-methylsulfanylpropyl)amino]-1,2-thiazole-4-carboxamide
CID 103381250
3-amino-N-methyl-5-[(1-methylcyclopentyl)methylamino]-1,2-thiazole-4-carboxamide
CID 103380656
3-amino-5-(2,2-dicyclopropylethylamino)-N-methyl-1,2-thiazole-4-carboxamide
CID 103378938
3-amino-5-(1-hydroxybutan-2-ylamino)-N-methyl-1,2-thiazole-4-carboxamide
CID 103382875
3-amino-5-[2-[2-methoxyethyl(methyl)amino]ethylamino]-N-methyl-1,2-thiazole-4-carboxamide
CID 103380065
3-amino-5-[(2-ethoxy-2-methylpropyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103384833
3-amino-5-(cyclopropylamino)-N-methyl-1,2-thiazole-4-carboxamide
CID 103382283
3-amino-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-N-methyl-1,2-thiazole-4-carboxamide
CID 103378181

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-5-(2,2,2-trifluoroethylamino)-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-amino-N-methyl-5-(2,2,2-trifluoroethylamino)-1,2-thiazole-4-carboxamide (CID 103382526) is 3-amino-N-methyl-5-(2,2,2-trifluoroethylamino)-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-amino-N-methyl-5-(2,2,2-trifluoroethylamino)-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-amino-N-methyl-5-(2,2,2-trifluoroethylamino)-1,2-thiazole-4-carboxamide is CNC(=O)c1c(N)nsc1NCC(F)(F)F.
What is the InChIKey of 3-amino-N-methyl-5-(2,2,2-trifluoroethylamino)-1,2-thiazole-4-carboxamide?
The InChIKey is VDGUDUJAJMPGKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N4OS/c1-12-5(15)3-4(11)14-16-6(3)13-2-7(8,9)10/h13H,2H2,1H3,(H2,11,14)(H,12,15).
What are the key properties of 3-amino-N-methyl-5-(2,2,2-trifluoroethylamino)-1,2-thiazole-4-carboxamide?
3-amino-N-methyl-5-(2,2,2-trifluoroethylamino)-1,2-thiazole-4-carboxamide has a molecular weight of 254.24 g/mol, XLogP of 1.06, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-5-(2,2,2-trifluoroethylamino)-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 103382526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).