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

C8H14N2O2S — CID 106380827

IUPAC4-[(2-hydroxybutylamino)methyl]-3H-1,3-thiazol-2-one
SMILESCCC(O)CNCc1csc(=O)[nH]1
InChIInChI=1S/C8H14N2O2S/c1-2-7(11)4-9-3-6-5-13-8(12)10-6/h5,7,9,11H,2-4H2,1H3,(H,10,12)
InChIKeyLRBQLHUNQOVGTG-UHFFFAOYSA-N
MW202.28 g/mol
LogP0.30
Rot. Bonds5

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

4-[(2-hydroxybutylamino)methyl]-3H-1,3-thiazol-2-one (PubChem CID 106380827) has the molecular formula C8H14N2O2S and a molecular weight of 202.28 g/mol. Its IUPAC name is 4-[(2-hydroxybutylamino)methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[(2-hydroxybutylamino)methyl]-3H-1,3-thiazol-2-one
PubChem CID106380827
Molecular FormulaC8H14N2O2S
Molecular Weight202.28 g/mol
Exact Mass202.08
IUPAC Name4-[(2-hydroxybutylamino)methyl]-3H-1,3-thiazol-2-one
SMILESCCC(O)CNCc1csc(=O)[nH]1
InChIInChI=1S/C8H14N2O2S/c1-2-7(11)4-9-3-6-5-13-8(12)10-6/h5,7,9,11H,2-4H2,1H3,(H,10,12)
InChIKeyLRBQLHUNQOVGTG-UHFFFAOYSA-N
XLogP0.30
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.28
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106380793
3-[2-Hydroxy-3-(propan-2-ylamino)propyl]-4-methyl-1,3-thiazol-2-one
CID 43286824
3-[2-Hydroxy-3-(propylamino)propyl]-4-methyl-1,3-thiazol-2-one
CID 43286825
3-[3-(Ethylamino)-2-hydroxypropyl]-4-methyl-1,3-thiazol-2-one
CID 43286826
3-[2-Hydroxy-3-(methylamino)propyl]-4-methyl-1,3-thiazol-2-one
CID 43286827
N-(2-hydroxypropyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 43418351
N-[(2S)-2-hydroxypropyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 83029421
N-[(2R)-2-hydroxypropyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 83032248
4-[[(3-hydroxy-3-methylbutan-2-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106379748
4-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106379990
4-[(3-methoxybutan-2-ylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380102
4-[(2-hydroxypropylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380675

Frequently Asked Questions

What is the IUPAC name of 4-[(2-hydroxybutylamino)methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[(2-hydroxybutylamino)methyl]-3H-1,3-thiazol-2-one (CID 106380827) is 4-[(2-hydroxybutylamino)methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[(2-hydroxybutylamino)methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[(2-hydroxybutylamino)methyl]-3H-1,3-thiazol-2-one is CCC(O)CNCc1csc(=O)[nH]1.
What is the InChIKey of 4-[(2-hydroxybutylamino)methyl]-3H-1,3-thiazol-2-one?
The InChIKey is LRBQLHUNQOVGTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2S/c1-2-7(11)4-9-3-6-5-13-8(12)10-6/h5,7,9,11H,2-4H2,1H3,(H,10,12).
What are the key properties of 4-[(2-hydroxybutylamino)methyl]-3H-1,3-thiazol-2-one?
4-[(2-hydroxybutylamino)methyl]-3H-1,3-thiazol-2-one has a molecular weight of 202.28 g/mol, XLogP of 0.30, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-hydroxybutylamino)methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106380827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).