4-[(2-ethylbutylamino)methyl]-3H-1,3-thiazol-2-one

C10H18N2OS — CID 106379915

IUPAC4-[(2-ethylbutylamino)methyl]-3H-1,3-thiazol-2-one
SMILESCCC(CC)CNCc1csc(=O)[nH]1
InChIInChI=1S/C10H18N2OS/c1-3-8(4-2)5-11-6-9-7-14-10(13)12-9/h7-8,11H,3-6H2,1-2H3,(H,12,13)
InChIKeyMHYKGAYIMANEMS-UHFFFAOYSA-N
MW214.33 g/mol
LogP1.96
Rot. Bonds6

About 4-[(2-ethylbutylamino)methyl]-3H-1,3-thiazol-2-one

4-[(2-ethylbutylamino)methyl]-3H-1,3-thiazol-2-one (PubChem CID 106379915) has the molecular formula C10H18N2OS and a molecular weight of 214.33 g/mol. Its IUPAC name is 4-[(2-ethylbutylamino)methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[(2-ethylbutylamino)methyl]-3H-1,3-thiazol-2-one
PubChem CID106379915
Molecular FormulaC10H18N2OS
Molecular Weight214.33 g/mol
Exact Mass214.11
IUPAC Name4-[(2-ethylbutylamino)methyl]-3H-1,3-thiazol-2-one
SMILESCCC(CC)CNCc1csc(=O)[nH]1
InChIInChI=1S/C10H18N2OS/c1-3-8(4-2)5-11-6-9-7-14-10(13)12-9/h7-8,11H,3-6H2,1-2H3,(H,12,13)
InChIKeyMHYKGAYIMANEMS-UHFFFAOYSA-N
XLogP1.96
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethylbutylamino)methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[(2-ethylbutylamino)methyl]-3H-1,3-thiazol-2-one (CID 106379915) is 4-[(2-ethylbutylamino)methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[(2-ethylbutylamino)methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[(2-ethylbutylamino)methyl]-3H-1,3-thiazol-2-one is CCC(CC)CNCc1csc(=O)[nH]1.
What is the InChIKey of 4-[(2-ethylbutylamino)methyl]-3H-1,3-thiazol-2-one?
The InChIKey is MHYKGAYIMANEMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS/c1-3-8(4-2)5-11-6-9-7-14-10(13)12-9/h7-8,11H,3-6H2,1-2H3,(H,12,13).
What are the key properties of 4-[(2-ethylbutylamino)methyl]-3H-1,3-thiazol-2-one?
4-[(2-ethylbutylamino)methyl]-3H-1,3-thiazol-2-one has a molecular weight of 214.33 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethylbutylamino)methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106379915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).