(2S)-2-acetamido-N,3-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)butanamide

C12H19N3O2S — CID 94029902

IUPAC(2S)-2-acetamido-N,3-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)butanamide
SMILESCC(=O)N[C@H](C(=O)N(C)c1nc(C)cs1)C(C)C
InChIInChI=1S/C12H19N3O2S/c1-7(2)10(14-9(4)16)11(17)15(5)12-13-8(3)6-18-12/h6-7,10H,1-5H3,(H,14,16)/t10-/m0/s1
InChIKeyXCDFAGFSZRZCDZ-JTQLQIEISA-N
MW269.37 g/mol
LogP1.58
Rot. Bonds4

About (2S)-2-acetamido-N,3-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)butanamide

(2S)-2-acetamido-N,3-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)butanamide (PubChem CID 94029902) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is (2S)-2-acetamido-N,3-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)butanamide.

Molecular Properties

Compound Name(2S)-2-acetamido-N,3-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)butanamide
PubChem CID94029902
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Name(2S)-2-acetamido-N,3-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)butanamide
SMILESCC(=O)N[C@H](C(=O)N(C)c1nc(C)cs1)C(C)C
InChIInChI=1S/C12H19N3O2S/c1-7(2)10(14-9(4)16)11(17)15(5)12-13-8(3)6-18-12/h6-7,10H,1-5H3,(H,14,16)/t10-/m0/s1
InChIKeyXCDFAGFSZRZCDZ-JTQLQIEISA-N
XLogP1.58
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-acetamido-N,3-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)butanamide?
The IUPAC name of (2S)-2-acetamido-N,3-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)butanamide (CID 94029902) is (2S)-2-acetamido-N,3-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)butanamide.
What is the SMILES notation for (2S)-2-acetamido-N,3-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)butanamide?
The canonical SMILES for (2S)-2-acetamido-N,3-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)butanamide is CC(=O)N[C@H](C(=O)N(C)c1nc(C)cs1)C(C)C.
What is the InChIKey of (2S)-2-acetamido-N,3-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)butanamide?
The InChIKey is XCDFAGFSZRZCDZ-JTQLQIEISA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-7(2)10(14-9(4)16)11(17)15(5)12-13-8(3)6-18-12/h6-7,10H,1-5H3,(H,14,16)/t10-/m0/s1.
What are the key properties of (2S)-2-acetamido-N,3-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)butanamide?
(2S)-2-acetamido-N,3-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)butanamide has a molecular weight of 269.37 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-acetamido-N,3-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)butanamide is sourced from PubChem (CID 94029902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).