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

C10H18N2OS — CID 106379752

IUPAC4-[(hexylamino)methyl]-3H-1,3-thiazol-2-one
SMILESCCCCCCNCc1csc(=O)[nH]1
InChIInChI=1S/C10H18N2OS/c1-2-3-4-5-6-11-7-9-8-14-10(13)12-9/h8,11H,2-7H2,1H3,(H,12,13)
InChIKeySQBRUDGTXYYDAF-UHFFFAOYSA-N
MW214.33 g/mol
LogP2.11
Rot. Bonds7

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

4-[(hexylamino)methyl]-3H-1,3-thiazol-2-one (PubChem CID 106379752) has the molecular formula C10H18N2OS and a molecular weight of 214.33 g/mol. Its IUPAC name is 4-[(hexylamino)methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[(hexylamino)methyl]-3H-1,3-thiazol-2-one
PubChem CID106379752
Molecular FormulaC10H18N2OS
Molecular Weight214.33 g/mol
Exact Mass214.11
IUPAC Name4-[(hexylamino)methyl]-3H-1,3-thiazol-2-one
SMILESCCCCCCNCc1csc(=O)[nH]1
InChIInChI=1S/C10H18N2OS/c1-2-3-4-5-6-11-7-9-8-14-10(13)12-9/h8,11H,2-7H2,1H3,(H,12,13)
InChIKeySQBRUDGTXYYDAF-UHFFFAOYSA-N
XLogP2.11
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 52.11
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-[(hexylamino)methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[(hexylamino)methyl]-3H-1,3-thiazol-2-one (CID 106379752) is 4-[(hexylamino)methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[(hexylamino)methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[(hexylamino)methyl]-3H-1,3-thiazol-2-one is CCCCCCNCc1csc(=O)[nH]1.
What is the InChIKey of 4-[(hexylamino)methyl]-3H-1,3-thiazol-2-one?
The InChIKey is SQBRUDGTXYYDAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS/c1-2-3-4-5-6-11-7-9-8-14-10(13)12-9/h8,11H,2-7H2,1H3,(H,12,13).
What are the key properties of 4-[(hexylamino)methyl]-3H-1,3-thiazol-2-one?
4-[(hexylamino)methyl]-3H-1,3-thiazol-2-one has a molecular weight of 214.33 g/mol, XLogP of 2.11, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(hexylamino)methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106379752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).