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

C12H19N3O2S — CID 94029587

IUPAC4-methyl-N-[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]-1,3-thiazole-5-carboxamide
SMILESCNC(=O)[C@H](CC(C)C)NC(=O)c1scnc1C
InChIInChI=1S/C12H19N3O2S/c1-7(2)5-9(11(16)13-4)15-12(17)10-8(3)14-6-18-10/h6-7,9H,5H2,1-4H3,(H,13,16)(H,15,17)/t9-/m0/s1
InChIKeyMJOCQDCFGRKKHJ-VIFPVBQESA-N
MW269.37 g/mol
LogP1.34
Rot. Bonds5

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

4-methyl-N-[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]-1,3-thiazole-5-carboxamide (PubChem CID 94029587) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is 4-methyl-N-[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]-1,3-thiazole-5-carboxamide
PubChem CID94029587
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Name4-methyl-N-[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]-1,3-thiazole-5-carboxamide
SMILESCNC(=O)[C@H](CC(C)C)NC(=O)c1scnc1C
InChIInChI=1S/C12H19N3O2S/c1-7(2)5-9(11(16)13-4)15-12(17)10-8(3)14-6-18-10/h6-7,9H,5H2,1-4H3,(H,13,16)(H,15,17)/t9-/m0/s1
InChIKeyMJOCQDCFGRKKHJ-VIFPVBQESA-N
XLogP1.34
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]-1,3-thiazole-5-carboxamide (CID 94029587) is 4-methyl-N-[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]-1,3-thiazole-5-carboxamide is CNC(=O)[C@H](CC(C)C)NC(=O)c1scnc1C.
What is the InChIKey of 4-methyl-N-[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is MJOCQDCFGRKKHJ-VIFPVBQESA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-7(2)5-9(11(16)13-4)15-12(17)10-8(3)14-6-18-10/h6-7,9H,5H2,1-4H3,(H,13,16)(H,15,17)/t9-/m0/s1.
What are the key properties of 4-methyl-N-[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]-1,3-thiazole-5-carboxamide?
4-methyl-N-[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 269.37 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 94029587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).