(2S)-3-methyl-2-(methylamino)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]butanamide

C12H21N3OS — CID 90652047

IUPAC(2S)-3-methyl-2-(methylamino)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]butanamide
SMILESCN[C@H](C(=O)NCCc1scnc1C)C(C)C
InChIInChI=1S/C12H21N3OS/c1-8(2)11(13-4)12(16)14-6-5-10-9(3)15-7-17-10/h7-8,11,13H,5-6H2,1-4H3,(H,14,16)/t11-/m0/s1
InChIKeyXRHKVYXHOBSRET-NSHDSACASA-N
MW255.39 g/mol
LogP1.35
Rot. Bonds6

About (2S)-3-methyl-2-(methylamino)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]butanamide

(2S)-3-methyl-2-(methylamino)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]butanamide (PubChem CID 90652047) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is (2S)-3-methyl-2-(methylamino)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]butanamide.

Molecular Properties

Compound Name(2S)-3-methyl-2-(methylamino)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]butanamide
PubChem CID90652047
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC Name(2S)-3-methyl-2-(methylamino)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]butanamide
SMILESCN[C@H](C(=O)NCCc1scnc1C)C(C)C
InChIInChI=1S/C12H21N3OS/c1-8(2)11(13-4)12(16)14-6-5-10-9(3)15-7-17-10/h7-8,11,13H,5-6H2,1-4H3,(H,14,16)/t11-/m0/s1
InChIKeyXRHKVYXHOBSRET-NSHDSACASA-N
XLogP1.35
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-methyl-2-(methylamino)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]butanamide?
The IUPAC name of (2S)-3-methyl-2-(methylamino)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]butanamide (CID 90652047) is (2S)-3-methyl-2-(methylamino)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]butanamide.
What is the SMILES notation for (2S)-3-methyl-2-(methylamino)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]butanamide?
The canonical SMILES for (2S)-3-methyl-2-(methylamino)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]butanamide is CN[C@H](C(=O)NCCc1scnc1C)C(C)C.
What is the InChIKey of (2S)-3-methyl-2-(methylamino)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]butanamide?
The InChIKey is XRHKVYXHOBSRET-NSHDSACASA-N. The full InChI is InChI=1S/C12H21N3OS/c1-8(2)11(13-4)12(16)14-6-5-10-9(3)15-7-17-10/h7-8,11,13H,5-6H2,1-4H3,(H,14,16)/t11-/m0/s1.
What are the key properties of (2S)-3-methyl-2-(methylamino)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]butanamide?
(2S)-3-methyl-2-(methylamino)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]butanamide has a molecular weight of 255.39 g/mol, XLogP of 1.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-methyl-2-(methylamino)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]butanamide is sourced from PubChem (CID 90652047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).