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

C12H20N2OS — CID 39071903

IUPAC2-ethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]butanamide
SMILESCCC(CC)C(=O)NCCc1nc(C)cs1
InChIInChI=1S/C12H20N2OS/c1-4-10(5-2)12(15)13-7-6-11-14-9(3)8-16-11/h8,10H,4-7H2,1-3H3,(H,13,15)
InChIKeyFXBGXHCMIZRUBD-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.55
Rot. Bonds6

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

2-ethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]butanamide (PubChem CID 39071903) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is 2-ethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]butanamide.

Molecular Properties

Compound Name2-ethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]butanamide
PubChem CID39071903
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name2-ethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]butanamide
SMILESCCC(CC)C(=O)NCCc1nc(C)cs1
InChIInChI=1S/C12H20N2OS/c1-4-10(5-2)12(15)13-7-6-11-14-9(3)8-16-11/h8,10H,4-7H2,1-3H3,(H,13,15)
InChIKeyFXBGXHCMIZRUBD-UHFFFAOYSA-N
XLogP2.55
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]butanamide?
The IUPAC name of 2-ethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]butanamide (CID 39071903) is 2-ethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]butanamide.
What is the SMILES notation for 2-ethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]butanamide?
The canonical SMILES for 2-ethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]butanamide is CCC(CC)C(=O)NCCc1nc(C)cs1.
What is the InChIKey of 2-ethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]butanamide?
The InChIKey is FXBGXHCMIZRUBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-4-10(5-2)12(15)13-7-6-11-14-9(3)8-16-11/h8,10H,4-7H2,1-3H3,(H,13,15).
What are the key properties of 2-ethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]butanamide?
2-ethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]butanamide has a molecular weight of 240.37 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]butanamide is sourced from PubChem (CID 39071903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).