4-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)-2-(dimethylamino)-1,3-thiazole-5-carboxamide

C11H19N5O2S — CID 106347696

IUPAC4-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)-2-(dimethylamino)-1,3-thiazole-5-carboxamide
SMILESCC(C)C(NC(=O)c1sc(N(C)C)nc1N)C(N)=O
InChIInChI=1S/C11H19N5O2S/c1-5(2)6(9(13)17)14-10(18)7-8(12)15-11(19-7)16(3)4/h5-6H,12H2,1-4H3,(H2,13,17)(H,14,18)
InChIKeyUBISFITXSJAJIE-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.03
Rot. Bonds5

About 4-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)-2-(dimethylamino)-1,3-thiazole-5-carboxamide

4-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)-2-(dimethylamino)-1,3-thiazole-5-carboxamide (PubChem CID 106347696) has the molecular formula C11H19N5O2S and a molecular weight of 285.37 g/mol. Its IUPAC name is 4-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)-2-(dimethylamino)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)-2-(dimethylamino)-1,3-thiazole-5-carboxamide
PubChem CID106347696
Molecular FormulaC11H19N5O2S
Molecular Weight285.37 g/mol
Exact Mass285.13
IUPAC Name4-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)-2-(dimethylamino)-1,3-thiazole-5-carboxamide
SMILESCC(C)C(NC(=O)c1sc(N(C)C)nc1N)C(N)=O
InChIInChI=1S/C11H19N5O2S/c1-5(2)6(9(13)17)14-10(18)7-8(12)15-11(19-7)16(3)4/h5-6H,12H2,1-4H3,(H2,13,17)(H,14,18)
InChIKeyUBISFITXSJAJIE-UHFFFAOYSA-N
XLogP0.03
TPSA114.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-2-(dimethylamino)-N-[1-(dimethylamino)-3-methylbutan-2-yl]-1,3-thiazole-5-carboxamide
CID 116663869
4-amino-2-(dimethylamino)-N-(4-methylhexan-2-yl)-1,3-thiazole-5-carboxamide
CID 116667275
4-amino-2-(dimethylamino)-N-(1-hydroxy-4-methylpentan-3-yl)-1,3-thiazole-5-carboxamide
CID 106358502
4-amino-2-(dimethylamino)-N-(2-methyl-1-thiophen-2-ylpropyl)-1,3-thiazole-5-carboxamide
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4-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)-2-(2-methoxyethylamino)-1,3-thiazole-5-carboxamide
CID 106347702
4-amino-2-[ethyl(methyl)amino]-N-(2-methylpentan-3-yl)-1,3-thiazole-5-carboxamide
CID 116663725
4-amino-N-[2-(carbamoylamino)ethyl]-2-(dimethylamino)-1,3-thiazole-5-carboxamide
CID 116672314
4-amino-2-(dimethylamino)-N-[1-(5-methylthiophen-2-yl)propan-2-yl]-1,3-thiazole-5-carboxamide
CID 116666930
4-amino-2-(dimethylamino)-N-hex-1-yn-3-yl-1,3-thiazole-5-carboxamide
CID 106233153
4-amino-2-(dimethylamino)-N-(1-pyrazol-1-ylpropan-2-yl)-1,3-thiazole-5-carboxamide
CID 116663571
4-amino-N-[1-(3-chlorophenyl)ethyl]-2-(dimethylamino)-1,3-thiazole-5-carboxamide
CID 116663930
2-[[4-amino-2-(dimethylamino)-1,3-thiazole-5-carbonyl]amino]ethyl carbamate
CID 116672210

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)-2-(dimethylamino)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)-2-(dimethylamino)-1,3-thiazole-5-carboxamide (CID 106347696) is 4-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)-2-(dimethylamino)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)-2-(dimethylamino)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)-2-(dimethylamino)-1,3-thiazole-5-carboxamide is CC(C)C(NC(=O)c1sc(N(C)C)nc1N)C(N)=O.
What is the InChIKey of 4-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)-2-(dimethylamino)-1,3-thiazole-5-carboxamide?
The InChIKey is UBISFITXSJAJIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2S/c1-5(2)6(9(13)17)14-10(18)7-8(12)15-11(19-7)16(3)4/h5-6H,12H2,1-4H3,(H2,13,17)(H,14,18).
What are the key properties of 4-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)-2-(dimethylamino)-1,3-thiazole-5-carboxamide?
4-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)-2-(dimethylamino)-1,3-thiazole-5-carboxamide has a molecular weight of 285.37 g/mol, XLogP of 0.03, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)-2-(dimethylamino)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 106347696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).