2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-N,4-dimethylpentanamide

C14H25N3OS — CID 43750472

IUPAC2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-N,4-dimethylpentanamide
SMILESCNC(=O)C(CC(C)C)NC(C)c1nc(C)sc1C
InChIInChI=1S/C14H25N3OS/c1-8(2)7-12(14(18)15-6)16-9(3)13-10(4)19-11(5)17-13/h8-9,12,16H,7H2,1-6H3,(H,15,18)
InChIKeyFBJNKSSNIKWRCB-UHFFFAOYSA-N
MW283.44 g/mol
LogP2.57
Rot. Bonds6

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

2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-N,4-dimethylpentanamide (PubChem CID 43750472) has the molecular formula C14H25N3OS and a molecular weight of 283.44 g/mol. Its IUPAC name is 2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-N,4-dimethylpentanamide.

Molecular Properties

Compound Name2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-N,4-dimethylpentanamide
PubChem CID43750472
Molecular FormulaC14H25N3OS
Molecular Weight283.44 g/mol
Exact Mass283.17
IUPAC Name2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-N,4-dimethylpentanamide
SMILESCNC(=O)C(CC(C)C)NC(C)c1nc(C)sc1C
InChIInChI=1S/C14H25N3OS/c1-8(2)7-12(14(18)15-6)16-9(3)13-10(4)19-11(5)17-13/h8-9,12,16H,7H2,1-6H3,(H,15,18)
InChIKeyFBJNKSSNIKWRCB-UHFFFAOYSA-N
XLogP2.57
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-N,4-dimethylpentanamide?
The IUPAC name of 2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-N,4-dimethylpentanamide (CID 43750472) is 2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-N,4-dimethylpentanamide.
What is the SMILES notation for 2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-N,4-dimethylpentanamide?
The canonical SMILES for 2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-N,4-dimethylpentanamide is CNC(=O)C(CC(C)C)NC(C)c1nc(C)sc1C.
What is the InChIKey of 2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-N,4-dimethylpentanamide?
The InChIKey is FBJNKSSNIKWRCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3OS/c1-8(2)7-12(14(18)15-6)16-9(3)13-10(4)19-11(5)17-13/h8-9,12,16H,7H2,1-6H3,(H,15,18).
What are the key properties of 2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-N,4-dimethylpentanamide?
2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-N,4-dimethylpentanamide has a molecular weight of 283.44 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-N,4-dimethylpentanamide is sourced from PubChem (CID 43750472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).