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

C11H17N5O2S — CID 116669863

IUPAC4-amino-N-(2-amino-2-oxoethyl)-2-(cyclobutylamino)-N-methyl-1,3-thiazole-5-carboxamide
SMILESCN(CC(N)=O)C(=O)c1sc(NC2CCC2)nc1N
InChIInChI=1S/C11H17N5O2S/c1-16(5-7(12)17)10(18)8-9(13)15-11(19-8)14-6-3-2-4-6/h6H,2-5,13H2,1H3,(H2,12,17)(H,14,15)
InChIKeyIJXKUEFYLFEGEG-UHFFFAOYSA-N
MW283.36 g/mol
LogP0.25
Rot. Bonds5

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

4-amino-N-(2-amino-2-oxoethyl)-2-(cyclobutylamino)-N-methyl-1,3-thiazole-5-carboxamide (PubChem CID 116669863) has the molecular formula C11H17N5O2S and a molecular weight of 283.36 g/mol. Its IUPAC name is 4-amino-N-(2-amino-2-oxoethyl)-2-(cyclobutylamino)-N-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-amino-2-oxoethyl)-2-(cyclobutylamino)-N-methyl-1,3-thiazole-5-carboxamide
PubChem CID116669863
Molecular FormulaC11H17N5O2S
Molecular Weight283.36 g/mol
Exact Mass283.11
IUPAC Name4-amino-N-(2-amino-2-oxoethyl)-2-(cyclobutylamino)-N-methyl-1,3-thiazole-5-carboxamide
SMILESCN(CC(N)=O)C(=O)c1sc(NC2CCC2)nc1N
InChIInChI=1S/C11H17N5O2S/c1-16(5-7(12)17)10(18)8-9(13)15-11(19-8)14-6-3-2-4-6/h6H,2-5,13H2,1H3,(H2,12,17)(H,14,15)
InChIKeyIJXKUEFYLFEGEG-UHFFFAOYSA-N
XLogP0.25
TPSA114.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-2-(cyclobutylamino)-N-[3-(dimethylamino)propyl]-N-methyl-1,3-thiazole-5-carboxamide
CID 116666308
4-amino-N-(2-amino-2-oxoethyl)-N-methyl-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116669861
4-amino-N-(2-amino-2-oxoethyl)-2-(tert-butylamino)-N-methyl-1,3-thiazole-5-carboxamide
CID 116669855
4-amino-2-(cyclobutylamino)-N-methyl-N-piperidin-4-yl-1,3-thiazole-5-carboxamide
CID 116663032
ethyl 4-amino-2-(cyclobutylamino)-1,3-thiazole-5-carboxylate
CID 116674025
4-amino-2-(cyclopropylamino)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3-thiazole-5-carboxamide
CID 116671279
4-amino-2-(cyclobutylamino)-N-[2-[ethyl(methyl)amino]ethyl]-1,3-thiazole-5-carboxamide
CID 116665514
4-amino-2-(cyclobutylamino)-N-ethyl-N-(1-methoxypropan-2-yl)-1,3-thiazole-5-carboxamide
CID 116664505
4-amino-2-(cyclobutylamino)-N-cyclopropyl-1,3-thiazole-5-carboxamide
CID 116667658
4-amino-2-(cyclobutylamino)-N-[(2-methylcyclopropyl)methyl]-1,3-thiazole-5-carboxamide
CID 116673037
4-amino-2-(cyclobutylamino)-N-[2-(ethylamino)-2-oxoethyl]-1,3-thiazole-5-carboxamide
CID 116670260
4-amino-2-(cyclobutylamino)-N-(2-cyclopropylpropyl)-1,3-thiazole-5-carboxamide
CID 116672854

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-amino-2-oxoethyl)-2-(cyclobutylamino)-N-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-(2-amino-2-oxoethyl)-2-(cyclobutylamino)-N-methyl-1,3-thiazole-5-carboxamide (CID 116669863) is 4-amino-N-(2-amino-2-oxoethyl)-2-(cyclobutylamino)-N-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(2-amino-2-oxoethyl)-2-(cyclobutylamino)-N-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(2-amino-2-oxoethyl)-2-(cyclobutylamino)-N-methyl-1,3-thiazole-5-carboxamide is CN(CC(N)=O)C(=O)c1sc(NC2CCC2)nc1N.
What is the InChIKey of 4-amino-N-(2-amino-2-oxoethyl)-2-(cyclobutylamino)-N-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is IJXKUEFYLFEGEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2S/c1-16(5-7(12)17)10(18)8-9(13)15-11(19-8)14-6-3-2-4-6/h6H,2-5,13H2,1H3,(H2,12,17)(H,14,15).
What are the key properties of 4-amino-N-(2-amino-2-oxoethyl)-2-(cyclobutylamino)-N-methyl-1,3-thiazole-5-carboxamide?
4-amino-N-(2-amino-2-oxoethyl)-2-(cyclobutylamino)-N-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 283.36 g/mol, XLogP of 0.25, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-amino-2-oxoethyl)-2-(cyclobutylamino)-N-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116669863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).