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

C13H23N3OS — CID 54883531

IUPAC2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-N,4-dimethylpentanamide
SMILESCCc1ncc(CNC(CC(C)C)C(=O)NC)s1
InChIInChI=1S/C13H23N3OS/c1-5-12-16-8-10(18-12)7-15-11(6-9(2)3)13(17)14-4/h8-9,11,15H,5-7H2,1-4H3,(H,14,17)
InChIKeyABRFQVVSJJDYNB-UHFFFAOYSA-N
MW269.41 g/mol
LogP1.96
Rot. Bonds7

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

2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-N,4-dimethylpentanamide (PubChem CID 54883531) has the molecular formula C13H23N3OS and a molecular weight of 269.41 g/mol. Its IUPAC name is 2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-N,4-dimethylpentanamide.

Molecular Properties

Compound Name2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-N,4-dimethylpentanamide
PubChem CID54883531
Molecular FormulaC13H23N3OS
Molecular Weight269.41 g/mol
Exact Mass269.16
IUPAC Name2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-N,4-dimethylpentanamide
SMILESCCc1ncc(CNC(CC(C)C)C(=O)NC)s1
InChIInChI=1S/C13H23N3OS/c1-5-12-16-8-10(18-12)7-15-11(6-9(2)3)13(17)14-4/h8-9,11,15H,5-7H2,1-4H3,(H,14,17)
InChIKeyABRFQVVSJJDYNB-UHFFFAOYSA-N
XLogP1.96
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-N,4-dimethylpentanamide?
The IUPAC name of 2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-N,4-dimethylpentanamide (CID 54883531) is 2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-N,4-dimethylpentanamide.
What is the SMILES notation for 2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-N,4-dimethylpentanamide?
The canonical SMILES for 2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-N,4-dimethylpentanamide is CCc1ncc(CNC(CC(C)C)C(=O)NC)s1.
What is the InChIKey of 2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-N,4-dimethylpentanamide?
The InChIKey is ABRFQVVSJJDYNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3OS/c1-5-12-16-8-10(18-12)7-15-11(6-9(2)3)13(17)14-4/h8-9,11,15H,5-7H2,1-4H3,(H,14,17).
What are the key properties of 2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-N,4-dimethylpentanamide?
2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-N,4-dimethylpentanamide has a molecular weight of 269.41 g/mol, XLogP of 1.96, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-N,4-dimethylpentanamide is sourced from PubChem (CID 54883531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).