2-amino-N-(4,4,4-trifluorobutyl)-1,3-thiazole-4-carboxamide

C8H10F3N3OS — CID 115519247

IUPAC2-amino-N-(4,4,4-trifluorobutyl)-1,3-thiazole-4-carboxamide
SMILESNc1nc(C(=O)NCCCC(F)(F)F)cs1
InChIInChI=1S/C8H10F3N3OS/c9-8(10,11)2-1-3-13-6(15)5-4-16-7(12)14-5/h4H,1-3H2,(H2,12,14)(H,13,15)
InChIKeyXEVXBIZPGQADDE-UHFFFAOYSA-N
MW253.25 g/mol
LogP1.80
Rot. Bonds4

About 2-amino-N-(4,4,4-trifluorobutyl)-1,3-thiazole-4-carboxamide

2-amino-N-(4,4,4-trifluorobutyl)-1,3-thiazole-4-carboxamide (PubChem CID 115519247) has the molecular formula C8H10F3N3OS and a molecular weight of 253.25 g/mol. Its IUPAC name is 2-amino-N-(4,4,4-trifluorobutyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-(4,4,4-trifluorobutyl)-1,3-thiazole-4-carboxamide
PubChem CID115519247
Molecular FormulaC8H10F3N3OS
Molecular Weight253.25 g/mol
Exact Mass253.05
IUPAC Name2-amino-N-(4,4,4-trifluorobutyl)-1,3-thiazole-4-carboxamide
SMILESNc1nc(C(=O)NCCCC(F)(F)F)cs1
InChIInChI=1S/C8H10F3N3OS/c9-8(10,11)2-1-3-13-6(15)5-4-16-7(12)14-5/h4H,1-3H2,(H2,12,14)(H,13,15)
InChIKeyXEVXBIZPGQADDE-UHFFFAOYSA-N
XLogP1.80
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-aminoethyl)-N-(4,4,4-trifluorobutyl)-1,3-thiazole-4-carboxamide
CID 113327458
2-amino-N-[3-(diethylamino)propyl]-1,3-thiazole-4-carboxamide
CID 55116109
N-(2-acetamidoethyl)-2-amino-1,3-thiazole-4-carboxamide
CID 62788552
2-amino-N-(3-pyrrolidin-1-ylpropyl)-1,3-thiazole-4-carboxamide
CID 62787661
2-amino-N-(5-hydroxy-4-methylpentyl)-1,3-thiazole-4-carboxamide
CID 106161214
methyl 3-[(2-amino-1,3-thiazole-4-carbonyl)amino]propanoate
CID 62787060
2-amino-N-[2-[(4-methylbenzoyl)amino]ethyl]-1,3-thiazole-4-carboxamide
CID 62788957
2-amino-N-[2-(methanesulfonamido)ethyl]-1,3-thiazole-4-carboxamide
CID 62788374
2-(2-amino-1,3-thiazol-4-yl)-N-(3,3,3-trifluoropropyl)acetamide
CID 63227328
2-[2-[(2-amino-1,3-thiazole-4-carbonyl)amino]ethoxy]acetic acid
CID 79457217
2-amino-N-(3-cyclohexyloxypropyl)-1,3-thiazole-4-carboxamide
CID 62786886
2-amino-N-prop-2-ynyl-1,3-thiazole-4-carboxamide
CID 62788887

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4,4,4-trifluorobutyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-amino-N-(4,4,4-trifluorobutyl)-1,3-thiazole-4-carboxamide (CID 115519247) is 2-amino-N-(4,4,4-trifluorobutyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-amino-N-(4,4,4-trifluorobutyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-amino-N-(4,4,4-trifluorobutyl)-1,3-thiazole-4-carboxamide is Nc1nc(C(=O)NCCCC(F)(F)F)cs1.
What is the InChIKey of 2-amino-N-(4,4,4-trifluorobutyl)-1,3-thiazole-4-carboxamide?
The InChIKey is XEVXBIZPGQADDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3OS/c9-8(10,11)2-1-3-13-6(15)5-4-16-7(12)14-5/h4H,1-3H2,(H2,12,14)(H,13,15).
What are the key properties of 2-amino-N-(4,4,4-trifluorobutyl)-1,3-thiazole-4-carboxamide?
2-amino-N-(4,4,4-trifluorobutyl)-1,3-thiazole-4-carboxamide has a molecular weight of 253.25 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4,4,4-trifluorobutyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 115519247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).