3-methyl-5-(methylamino)-N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]-1,2-thiazole-4-carboxamide

C12H20N4O2S — CID 164631255

IUPAC3-methyl-5-(methylamino)-N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]-1,2-thiazole-4-carboxamide
SMILESCNC(=O)[C@@H](NC(=O)c1c(C)nsc1NC)C(C)C
InChIInChI=1S/C12H20N4O2S/c1-6(2)9(11(18)13-4)15-10(17)8-7(3)16-19-12(8)14-5/h6,9,14H,1-5H3,(H,13,18)(H,15,17)/t9-/m0/s1
InChIKeyHYEYZLHKKZBDQG-VIFPVBQESA-N
MW284.39 g/mol
LogP0.99
Rot. Bonds5

About 3-methyl-5-(methylamino)-N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]-1,2-thiazole-4-carboxamide

3-methyl-5-(methylamino)-N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]-1,2-thiazole-4-carboxamide (PubChem CID 164631255) has the molecular formula C12H20N4O2S and a molecular weight of 284.39 g/mol. Its IUPAC name is 3-methyl-5-(methylamino)-N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-methyl-5-(methylamino)-N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]-1,2-thiazole-4-carboxamide
PubChem CID164631255
Molecular FormulaC12H20N4O2S
Molecular Weight284.39 g/mol
Exact Mass284.13
IUPAC Name3-methyl-5-(methylamino)-N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]-1,2-thiazole-4-carboxamide
SMILESCNC(=O)[C@@H](NC(=O)c1c(C)nsc1NC)C(C)C
InChIInChI=1S/C12H20N4O2S/c1-6(2)9(11(18)13-4)15-10(17)8-7(3)16-19-12(8)14-5/h6,9,14H,1-5H3,(H,13,18)(H,15,17)/t9-/m0/s1
InChIKeyHYEYZLHKKZBDQG-VIFPVBQESA-N
XLogP0.99
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(methylamino)-N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-methyl-5-(methylamino)-N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]-1,2-thiazole-4-carboxamide (CID 164631255) is 3-methyl-5-(methylamino)-N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-methyl-5-(methylamino)-N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-methyl-5-(methylamino)-N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]-1,2-thiazole-4-carboxamide is CNC(=O)[C@@H](NC(=O)c1c(C)nsc1NC)C(C)C.
What is the InChIKey of 3-methyl-5-(methylamino)-N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]-1,2-thiazole-4-carboxamide?
The InChIKey is HYEYZLHKKZBDQG-VIFPVBQESA-N. The full InChI is InChI=1S/C12H20N4O2S/c1-6(2)9(11(18)13-4)15-10(17)8-7(3)16-19-12(8)14-5/h6,9,14H,1-5H3,(H,13,18)(H,15,17)/t9-/m0/s1.
What are the key properties of 3-methyl-5-(methylamino)-N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]-1,2-thiazole-4-carboxamide?
3-methyl-5-(methylamino)-N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]-1,2-thiazole-4-carboxamide has a molecular weight of 284.39 g/mol, XLogP of 0.99, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(methylamino)-N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 164631255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).