4-amino-2-(ethylamino)-N-(3,3,3-trifluoropropyl)-1,3-thiazole-5-carboxamide

C9H13F3N4OS — CID 116665947

IUPAC4-amino-2-(ethylamino)-N-(3,3,3-trifluoropropyl)-1,3-thiazole-5-carboxamide
SMILESCCNc1nc(N)c(C(=O)NCCC(F)(F)F)s1
InChIInChI=1S/C9H13F3N4OS/c1-2-14-8-16-6(13)5(18-8)7(17)15-4-3-9(10,11)12/h2-4,13H2,1H3,(H,14,16)(H,15,17)
InChIKeyIBLBTQMVHGSWKB-UHFFFAOYSA-N
MW282.29 g/mol
LogP1.84
Rot. Bonds5

About 4-amino-2-(ethylamino)-N-(3,3,3-trifluoropropyl)-1,3-thiazole-5-carboxamide

4-amino-2-(ethylamino)-N-(3,3,3-trifluoropropyl)-1,3-thiazole-5-carboxamide (PubChem CID 116665947) has the molecular formula C9H13F3N4OS and a molecular weight of 282.29 g/mol. Its IUPAC name is 4-amino-2-(ethylamino)-N-(3,3,3-trifluoropropyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(ethylamino)-N-(3,3,3-trifluoropropyl)-1,3-thiazole-5-carboxamide
PubChem CID116665947
Molecular FormulaC9H13F3N4OS
Molecular Weight282.29 g/mol
Exact Mass282.08
IUPAC Name4-amino-2-(ethylamino)-N-(3,3,3-trifluoropropyl)-1,3-thiazole-5-carboxamide
SMILESCCNc1nc(N)c(C(=O)NCCC(F)(F)F)s1
InChIInChI=1S/C9H13F3N4OS/c1-2-14-8-16-6(13)5(18-8)7(17)15-4-3-9(10,11)12/h2-4,13H2,1H3,(H,14,16)(H,15,17)
InChIKeyIBLBTQMVHGSWKB-UHFFFAOYSA-N
XLogP1.84
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.29
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-2-(ethylamino)-N-hexadecyl-1,3-thiazole-5-carboxamide
CID 171133620
4-amino-2-(ethylamino)-N-[2-[ethyl(methyl)amino]ethyl]-1,3-thiazole-5-carboxamide
CID 116665505
4-amino-2-(ethylamino)-N-[3-oxo-3-(propylamino)propyl]-1,3-thiazole-5-carboxamide
CID 116664869
4-amino-2-(ethylamino)-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide
CID 116670593
4-amino-N-[2-(dimethylsulfamoyl)ethyl]-2-(ethylamino)-1,3-thiazole-5-carboxamide
CID 106343636
4-amino-2-(ethylamino)-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide
CID 116667670
4-amino-2-(ethylamino)-N-(5-hydroxy-2,2-dimethylpentyl)-1,3-thiazole-5-carboxamide
CID 106150418
4-amino-2-(ethylamino)-N-[2-ethyl-2-(hydroxymethyl)butyl]-1,3-thiazole-5-carboxamide
CID 106258906
4-amino-2-[methyl(propyl)amino]-N-(3,3,3-trifluoropropyl)-1,3-thiazole-5-carboxamide
CID 116665952
4-amino-2-(ethylamino)-N-[2-(2-methylpropoxy)ethyl]-1,3-thiazole-5-carboxamide
CID 116673637
4-amino-2-(ethylamino)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 116665964
4-amino-2-(ethylamino)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-1,3-thiazole-5-carboxamide
CID 107868763

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(ethylamino)-N-(3,3,3-trifluoropropyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-(ethylamino)-N-(3,3,3-trifluoropropyl)-1,3-thiazole-5-carboxamide (CID 116665947) is 4-amino-2-(ethylamino)-N-(3,3,3-trifluoropropyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-(ethylamino)-N-(3,3,3-trifluoropropyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-(ethylamino)-N-(3,3,3-trifluoropropyl)-1,3-thiazole-5-carboxamide is CCNc1nc(N)c(C(=O)NCCC(F)(F)F)s1.
What is the InChIKey of 4-amino-2-(ethylamino)-N-(3,3,3-trifluoropropyl)-1,3-thiazole-5-carboxamide?
The InChIKey is IBLBTQMVHGSWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4OS/c1-2-14-8-16-6(13)5(18-8)7(17)15-4-3-9(10,11)12/h2-4,13H2,1H3,(H,14,16)(H,15,17).
What are the key properties of 4-amino-2-(ethylamino)-N-(3,3,3-trifluoropropyl)-1,3-thiazole-5-carboxamide?
4-amino-2-(ethylamino)-N-(3,3,3-trifluoropropyl)-1,3-thiazole-5-carboxamide has a molecular weight of 282.29 g/mol, XLogP of 1.84, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(ethylamino)-N-(3,3,3-trifluoropropyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116665947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).