[4-(2,1-benzothiazol-3-ylamino)oxan-4-yl]methanol

C13H16N2O2S — CID 106299620

IUPAC[4-(2,1-benzothiazol-3-ylamino)oxan-4-yl]methanol
SMILESOCC1(Nc2snc3ccccc23)CCOCC1
InChIInChI=1S/C13H16N2O2S/c16-9-13(5-7-17-8-6-13)14-12-10-3-1-2-4-11(10)15-18-12/h1-4,14,16H,5-9H2
InChIKeyWKFYJDYDFFIUKO-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.25
Rot. Bonds3

About [4-(2,1-benzothiazol-3-ylamino)oxan-4-yl]methanol

[4-(2,1-benzothiazol-3-ylamino)oxan-4-yl]methanol (PubChem CID 106299620) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is [4-(2,1-benzothiazol-3-ylamino)oxan-4-yl]methanol.

Molecular Properties

Compound Name[4-(2,1-benzothiazol-3-ylamino)oxan-4-yl]methanol
PubChem CID106299620
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC Name[4-(2,1-benzothiazol-3-ylamino)oxan-4-yl]methanol
SMILESOCC1(Nc2snc3ccccc23)CCOCC1
InChIInChI=1S/C13H16N2O2S/c16-9-13(5-7-17-8-6-13)14-12-10-3-1-2-4-11(10)15-18-12/h1-4,14,16H,5-9H2
InChIKeyWKFYJDYDFFIUKO-UHFFFAOYSA-N
XLogP2.25
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2,1-benzothiazol-3-ylamino)methyl]oxane-4-carboxylic acid
CID 115438678
3-[(2,1-benzothiazol-3-ylamino)methyl]oxolan-3-ol
CID 103847671
[1-[(2,1-benzothiazol-3-ylamino)methyl]cyclopentyl]methanol
CID 113294048
[4-(2-aminoanilino)oxan-4-yl]methanol
CID 106296850
[4-[(3-amino-1,2,4-thiadiazol-5-yl)amino]oxan-4-yl]methanol
CID 106301087
1-[(2,1-benzothiazol-3-ylamino)methyl]-4,4-dimethylcyclohexan-1-ol
CID 66354873
[2-[2-[[[4-[[4-(hydroxymethyl)oxan-4-yl]amino]quinazolin-2-yl]amino]methyl]phenyl]sulfanylphenyl]methanol
CID 58966821
5-(2,1-benzothiazol-3-ylamino)pentan-1-ol
CID 107302591
1-[(2,1-benzothiazol-3-ylamino)methyl]-4-methylcyclohexan-1-ol
CID 66354872
[4-(4-aminoanilino)oxan-4-yl]methanol
CID 106296805
[4-[(4-chloro-1,2,5-thiadiazol-3-yl)amino]oxan-4-yl]methanol
CID 106300603
4-[[4-(hydroxymethyl)oxan-4-yl]amino]-1-methylquinolin-2-one
CID 106300252

Frequently Asked Questions

What is the IUPAC name of [4-(2,1-benzothiazol-3-ylamino)oxan-4-yl]methanol?
The IUPAC name of [4-(2,1-benzothiazol-3-ylamino)oxan-4-yl]methanol (CID 106299620) is [4-(2,1-benzothiazol-3-ylamino)oxan-4-yl]methanol.
What is the SMILES notation for [4-(2,1-benzothiazol-3-ylamino)oxan-4-yl]methanol?
The canonical SMILES for [4-(2,1-benzothiazol-3-ylamino)oxan-4-yl]methanol is OCC1(Nc2snc3ccccc23)CCOCC1.
What is the InChIKey of [4-(2,1-benzothiazol-3-ylamino)oxan-4-yl]methanol?
The InChIKey is WKFYJDYDFFIUKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S/c16-9-13(5-7-17-8-6-13)14-12-10-3-1-2-4-11(10)15-18-12/h1-4,14,16H,5-9H2.
What are the key properties of [4-(2,1-benzothiazol-3-ylamino)oxan-4-yl]methanol?
[4-(2,1-benzothiazol-3-ylamino)oxan-4-yl]methanol has a molecular weight of 264.35 g/mol, XLogP of 2.25, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,1-benzothiazol-3-ylamino)oxan-4-yl]methanol is sourced from PubChem (CID 106299620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).