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

C9H13F3N4OS — CID 116670593

IUPAC4-amino-2-(ethylamino)-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide
SMILESCCNc1nc(N)c(C(=O)N(C)CC(F)(F)F)s1
InChIInChI=1S/C9H13F3N4OS/c1-3-14-8-15-6(13)5(18-8)7(17)16(2)4-9(10,11)12/h3-4,13H2,1-2H3,(H,14,15)
InChIKeyOGPDCBZGBYWNFU-UHFFFAOYSA-N
MW282.29 g/mol
LogP1.79
Rot. Bonds4

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

4-amino-2-(ethylamino)-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide (PubChem CID 116670593) has the molecular formula C9H13F3N4OS and a molecular weight of 282.29 g/mol. Its IUPAC name is 4-amino-2-(ethylamino)-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(ethylamino)-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide
PubChem CID116670593
Molecular FormulaC9H13F3N4OS
Molecular Weight282.29 g/mol
Exact Mass282.08
IUPAC Name4-amino-2-(ethylamino)-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide
SMILESCCNc1nc(N)c(C(=O)N(C)CC(F)(F)F)s1
InChIInChI=1S/C9H13F3N4OS/c1-3-14-8-15-6(13)5(18-8)7(17)16(2)4-9(10,11)12/h3-4,13H2,1-2H3,(H,14,15)
InChIKeyOGPDCBZGBYWNFU-UHFFFAOYSA-N
XLogP1.79
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.29
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-2-(ethylamino)-N-methyl-N-(2-methylbutan-2-yl)-1,3-thiazole-5-carboxamide
CID 116666497
4-amino-2-(ethylamino)-N-(3,3,3-trifluoropropyl)-1,3-thiazole-5-carboxamide
CID 116665947
4-amino-N-(cyclobutylmethyl)-2-(ethylamino)-N-methyl-1,3-thiazole-5-carboxamide
CID 116665637
4-amino-2-(ethylamino)-N-methyl-N-(4-methylpentan-2-yl)-1,3-thiazole-5-carboxamide
CID 116664355
4-amino-2-(ethylamino)-N-methyl-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-5-carboxamide
CID 116665920
4-amino-N-[(4-bromothiophen-2-yl)methyl]-2-(ethylamino)-N-methyl-1,3-thiazole-5-carboxamide
CID 116664190
4-amino-N-ethyl-2-(ethylamino)-N-(2-methylbutyl)-1,3-thiazole-5-carboxamide
CID 116671241
4-amino-N-ethyl-2-(2-methoxyethylamino)-N-methyl-1,3-thiazole-5-carboxamide
CID 116669398
4-amino-2-(ethylamino)-N-[2-[ethyl(methyl)amino]ethyl]-1,3-thiazole-5-carboxamide
CID 116665505
4-amino-N-(2-amino-2-oxoethyl)-2-(tert-butylamino)-N-methyl-1,3-thiazole-5-carboxamide
CID 116669855
4-amino-2-(tert-butylamino)-N-(2-hydroxyethyl)-N-methyl-1,3-thiazole-5-carboxamide
CID 116670684
4-amino-N-[2-(dimethylsulfamoyl)ethyl]-2-(ethylamino)-1,3-thiazole-5-carboxamide
CID 106343636

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(ethylamino)-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-(ethylamino)-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide (CID 116670593) is 4-amino-2-(ethylamino)-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-(ethylamino)-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-(ethylamino)-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide is CCNc1nc(N)c(C(=O)N(C)CC(F)(F)F)s1.
What is the InChIKey of 4-amino-2-(ethylamino)-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is OGPDCBZGBYWNFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4OS/c1-3-14-8-15-6(13)5(18-8)7(17)16(2)4-9(10,11)12/h3-4,13H2,1-2H3,(H,14,15).
What are the key properties of 4-amino-2-(ethylamino)-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide?
4-amino-2-(ethylamino)-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 282.29 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(ethylamino)-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116670593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).