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

C14H26N2OS — CID 106379907

IUPAC4-[(decylamino)methyl]-3H-1,3-thiazol-2-one
SMILESCCCCCCCCCCNCc1csc(=O)[nH]1
InChIInChI=1S/C14H26N2OS/c1-2-3-4-5-6-7-8-9-10-15-11-13-12-18-14(17)16-13/h12,15H,2-11H2,1H3,(H,16,17)
InChIKeyKCXIMIJSFNVCST-UHFFFAOYSA-N
MW270.44 g/mol
LogP3.67
Rot. Bonds11

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

4-[(decylamino)methyl]-3H-1,3-thiazol-2-one (PubChem CID 106379907) has the molecular formula C14H26N2OS and a molecular weight of 270.44 g/mol. Its IUPAC name is 4-[(decylamino)methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[(decylamino)methyl]-3H-1,3-thiazol-2-one
PubChem CID106379907
Molecular FormulaC14H26N2OS
Molecular Weight270.44 g/mol
Exact Mass270.18
IUPAC Name4-[(decylamino)methyl]-3H-1,3-thiazol-2-one
SMILESCCCCCCCCCCNCc1csc(=O)[nH]1
InChIInChI=1S/C14H26N2OS/c1-2-3-4-5-6-7-8-9-10-15-11-13-12-18-14(17)16-13/h12,15H,2-11H2,1H3,(H,16,17)
InChIKeyKCXIMIJSFNVCST-UHFFFAOYSA-N
XLogP3.67
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(decylamino)methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[(decylamino)methyl]-3H-1,3-thiazol-2-one (CID 106379907) is 4-[(decylamino)methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[(decylamino)methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[(decylamino)methyl]-3H-1,3-thiazol-2-one is CCCCCCCCCCNCc1csc(=O)[nH]1.
What is the InChIKey of 4-[(decylamino)methyl]-3H-1,3-thiazol-2-one?
The InChIKey is KCXIMIJSFNVCST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2OS/c1-2-3-4-5-6-7-8-9-10-15-11-13-12-18-14(17)16-13/h12,15H,2-11H2,1H3,(H,16,17).
What are the key properties of 4-[(decylamino)methyl]-3H-1,3-thiazol-2-one?
4-[(decylamino)methyl]-3H-1,3-thiazol-2-one has a molecular weight of 270.44 g/mol, XLogP of 3.67, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(decylamino)methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106379907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).