4-amino-N-ethyl-2-(2-methoxyethylamino)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide

C11H17F3N4O2S — CID 116664480

IUPAC4-amino-N-ethyl-2-(2-methoxyethylamino)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide
SMILESCCN(CC(F)(F)F)C(=O)c1sc(NCCOC)nc1N
InChIInChI=1S/C11H17F3N4O2S/c1-3-18(6-11(12,13)14)9(19)7-8(15)17-10(21-7)16-4-5-20-2/h3-6,15H2,1-2H3,(H,16,17)
InChIKeyJWBRVHJWAUIPHK-UHFFFAOYSA-N
MW326.34 g/mol
LogP1.81
Rot. Bonds7

About 4-amino-N-ethyl-2-(2-methoxyethylamino)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide

4-amino-N-ethyl-2-(2-methoxyethylamino)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide (PubChem CID 116664480) has the molecular formula C11H17F3N4O2S and a molecular weight of 326.34 g/mol. Its IUPAC name is 4-amino-N-ethyl-2-(2-methoxyethylamino)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-ethyl-2-(2-methoxyethylamino)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide
PubChem CID116664480
Molecular FormulaC11H17F3N4O2S
Molecular Weight326.34 g/mol
Exact Mass326.10
IUPAC Name4-amino-N-ethyl-2-(2-methoxyethylamino)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide
SMILESCCN(CC(F)(F)F)C(=O)c1sc(NCCOC)nc1N
InChIInChI=1S/C11H17F3N4O2S/c1-3-18(6-11(12,13)14)9(19)7-8(15)17-10(21-7)16-4-5-20-2/h3-6,15H2,1-2H3,(H,16,17)
InChIKeyJWBRVHJWAUIPHK-UHFFFAOYSA-N
XLogP1.81
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.34
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(morpholin-4-yl)-6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one
CID 135455532
4-Amino-2-(morpholin-4-yl)-1,3-thiazole-5-carboxamide
CID 13595332
4-amino-N-[2-(2,2-difluoroethoxy)ethyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 105923485
4-amino-2-(cyclopropylamino)-N-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazole-5-carboxamide
CID 105923486
4-amino-N-[2-(2,2-difluoroethoxy)ethyl]-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 105923487
4-amino-N-[2-(2,2-difluoroethoxy)ethyl]-2-(dimethylamino)-1,3-thiazole-5-carboxamide
CID 105923488
4-amino-N-[2-(2,2-difluoroethoxy)ethyl]-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide
CID 105923489
4-amino-2-(tert-butylamino)-N-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazole-5-carboxamide
CID 105923490
4-amino-N-[2-(2,2-difluoroethoxy)ethyl]-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide
CID 105923491
4-amino-N-[2-(2,2-difluoroethoxy)ethyl]-2-[ethyl(methyl)amino]-1,3-thiazole-5-carboxamide
CID 105923492
4-amino-2-(cyclobutylamino)-N-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazole-5-carboxamide
CID 105923493
4-amino-N-[2-(2,2-difluoroethoxy)ethyl]-2-(2-methoxyethylamino)-1,3-thiazole-5-carboxamide
CID 105923494

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-ethyl-2-(2-methoxyethylamino)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-ethyl-2-(2-methoxyethylamino)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide (CID 116664480) is 4-amino-N-ethyl-2-(2-methoxyethylamino)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-ethyl-2-(2-methoxyethylamino)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-ethyl-2-(2-methoxyethylamino)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide is CCN(CC(F)(F)F)C(=O)c1sc(NCCOC)nc1N.
What is the InChIKey of 4-amino-N-ethyl-2-(2-methoxyethylamino)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is JWBRVHJWAUIPHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4O2S/c1-3-18(6-11(12,13)14)9(19)7-8(15)17-10(21-7)16-4-5-20-2/h3-6,15H2,1-2H3,(H,16,17).
What are the key properties of 4-amino-N-ethyl-2-(2-methoxyethylamino)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide?
4-amino-N-ethyl-2-(2-methoxyethylamino)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 326.34 g/mol, XLogP of 1.81, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-ethyl-2-(2-methoxyethylamino)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116664480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).