3-[[2-(2,5-dimethyl-1,3-thiazol-4-yl)acetyl]-methylamino]-N-methylbutanamide

C13H21N3O2S — CID 56752765

IUPAC3-[[2-(2,5-dimethyl-1,3-thiazol-4-yl)acetyl]-methylamino]-N-methylbutanamide
SMILESCNC(=O)CC(C)N(C)C(=O)Cc1nc(C)sc1C
InChIInChI=1S/C13H21N3O2S/c1-8(6-12(17)14-4)16(5)13(18)7-11-9(2)19-10(3)15-11/h8H,6-7H2,1-5H3,(H,14,17)
InChIKeyOKLKUWVWBXSKKR-UHFFFAOYSA-N
MW283.40 g/mol
LogP1.29
Rot. Bonds5

About 3-[[2-(2,5-dimethyl-1,3-thiazol-4-yl)acetyl]-methylamino]-N-methylbutanamide

3-[[2-(2,5-dimethyl-1,3-thiazol-4-yl)acetyl]-methylamino]-N-methylbutanamide (PubChem CID 56752765) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is 3-[[2-(2,5-dimethyl-1,3-thiazol-4-yl)acetyl]-methylamino]-N-methylbutanamide.

Molecular Properties

Compound Name3-[[2-(2,5-dimethyl-1,3-thiazol-4-yl)acetyl]-methylamino]-N-methylbutanamide
PubChem CID56752765
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC Name3-[[2-(2,5-dimethyl-1,3-thiazol-4-yl)acetyl]-methylamino]-N-methylbutanamide
SMILESCNC(=O)CC(C)N(C)C(=O)Cc1nc(C)sc1C
InChIInChI=1S/C13H21N3O2S/c1-8(6-12(17)14-4)16(5)13(18)7-11-9(2)19-10(3)15-11/h8H,6-7H2,1-5H3,(H,14,17)
InChIKeyOKLKUWVWBXSKKR-UHFFFAOYSA-N
XLogP1.29
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 72129821
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CID 49719149
CID 49719149
CID 236240
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CID 72104563
CID 72104563
CID 74235443
CID 74235443
CID 75518807
CID 75518807
CID 91660071
CID 91660071
CID 91831429
CID 91831429
CID 91841919
CID 91841919

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2,5-dimethyl-1,3-thiazol-4-yl)acetyl]-methylamino]-N-methylbutanamide?
The IUPAC name of 3-[[2-(2,5-dimethyl-1,3-thiazol-4-yl)acetyl]-methylamino]-N-methylbutanamide (CID 56752765) is 3-[[2-(2,5-dimethyl-1,3-thiazol-4-yl)acetyl]-methylamino]-N-methylbutanamide.
What is the SMILES notation for 3-[[2-(2,5-dimethyl-1,3-thiazol-4-yl)acetyl]-methylamino]-N-methylbutanamide?
The canonical SMILES for 3-[[2-(2,5-dimethyl-1,3-thiazol-4-yl)acetyl]-methylamino]-N-methylbutanamide is CNC(=O)CC(C)N(C)C(=O)Cc1nc(C)sc1C.
What is the InChIKey of 3-[[2-(2,5-dimethyl-1,3-thiazol-4-yl)acetyl]-methylamino]-N-methylbutanamide?
The InChIKey is OKLKUWVWBXSKKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-8(6-12(17)14-4)16(5)13(18)7-11-9(2)19-10(3)15-11/h8H,6-7H2,1-5H3,(H,14,17).
What are the key properties of 3-[[2-(2,5-dimethyl-1,3-thiazol-4-yl)acetyl]-methylamino]-N-methylbutanamide?
3-[[2-(2,5-dimethyl-1,3-thiazol-4-yl)acetyl]-methylamino]-N-methylbutanamide has a molecular weight of 283.40 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2,5-dimethyl-1,3-thiazol-4-yl)acetyl]-methylamino]-N-methylbutanamide is sourced from PubChem (CID 56752765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).