4-[(6-hydroxyhexylamino)methyl]-3H-1,3-thiazol-2-one

C10H18N2O2S — CID 106380655

IUPAC4-[(6-hydroxyhexylamino)methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(CNCCCCCCO)cs1
InChIInChI=1S/C10H18N2O2S/c13-6-4-2-1-3-5-11-7-9-8-15-10(14)12-9/h8,11,13H,1-7H2,(H,12,14)
InChIKeyVBYQQHKHZYKMAD-UHFFFAOYSA-N
MW230.33 g/mol
LogP1.08
Rot. Bonds8

About 4-[(6-hydroxyhexylamino)methyl]-3H-1,3-thiazol-2-one

4-[(6-hydroxyhexylamino)methyl]-3H-1,3-thiazol-2-one (PubChem CID 106380655) has the molecular formula C10H18N2O2S and a molecular weight of 230.33 g/mol. Its IUPAC name is 4-[(6-hydroxyhexylamino)methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[(6-hydroxyhexylamino)methyl]-3H-1,3-thiazol-2-one
PubChem CID106380655
Molecular FormulaC10H18N2O2S
Molecular Weight230.33 g/mol
Exact Mass230.11
IUPAC Name4-[(6-hydroxyhexylamino)methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(CNCCCCCCO)cs1
InChIInChI=1S/C10H18N2O2S/c13-6-4-2-1-3-5-11-7-9-8-15-10(14)12-9/h8,11,13H,1-7H2,(H,12,14)
InChIKeyVBYQQHKHZYKMAD-UHFFFAOYSA-N
XLogP1.08
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[[(4-hydroxycyclohexyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106380218
4-[(5-hydroxypentylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380782
4-[[(2-hydroxycycloheptyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106380845
4-[(4-hydroxybutylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380955
4-[[[(1S,2S)-2-hydroxycyclohexyl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106381030
4-[[[(1R,2R)-2-hydroxycyclohexyl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106381031
4-[[(2-hydroxycyclohexyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106381032
2-(hydroxymethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]piperidine-1-sulfonamide
CID 106383812
N-(6-hydroxyhexyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 113351813

Frequently Asked Questions

What is the IUPAC name of 4-[(6-hydroxyhexylamino)methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[(6-hydroxyhexylamino)methyl]-3H-1,3-thiazol-2-one (CID 106380655) is 4-[(6-hydroxyhexylamino)methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[(6-hydroxyhexylamino)methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[(6-hydroxyhexylamino)methyl]-3H-1,3-thiazol-2-one is O=c1[nH]c(CNCCCCCCO)cs1.
What is the InChIKey of 4-[(6-hydroxyhexylamino)methyl]-3H-1,3-thiazol-2-one?
The InChIKey is VBYQQHKHZYKMAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2S/c13-6-4-2-1-3-5-11-7-9-8-15-10(14)12-9/h8,11,13H,1-7H2,(H,12,14).
What are the key properties of 4-[(6-hydroxyhexylamino)methyl]-3H-1,3-thiazol-2-one?
4-[(6-hydroxyhexylamino)methyl]-3H-1,3-thiazol-2-one has a molecular weight of 230.33 g/mol, XLogP of 1.08, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-hydroxyhexylamino)methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106380655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).