6-methoxy-N-[2-(oxolan-2-yl)ethyl]-1,3-benzothiazol-2-amine

C14H18N2O2S — CID 79518210

IUPAC6-methoxy-N-[2-(oxolan-2-yl)ethyl]-1,3-benzothiazol-2-amine
SMILESCOc1ccc2nc(NCCC3CCCO3)sc2c1
InChIInChI=1S/C14H18N2O2S/c1-17-11-4-5-12-13(9-11)19-14(16-12)15-7-6-10-3-2-8-18-10/h4-5,9-10H,2-3,6-8H2,1H3,(H,15,16)
InChIKeyVOILBYUDYXTIDL-UHFFFAOYSA-N
MW278.38 g/mol
LogP3.29
Rot. Bonds5

About 6-methoxy-N-[2-(oxolan-2-yl)ethyl]-1,3-benzothiazol-2-amine

6-methoxy-N-[2-(oxolan-2-yl)ethyl]-1,3-benzothiazol-2-amine (PubChem CID 79518210) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is 6-methoxy-N-[2-(oxolan-2-yl)ethyl]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-methoxy-N-[2-(oxolan-2-yl)ethyl]-1,3-benzothiazol-2-amine
PubChem CID79518210
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name6-methoxy-N-[2-(oxolan-2-yl)ethyl]-1,3-benzothiazol-2-amine
SMILESCOc1ccc2nc(NCCC3CCCO3)sc2c1
InChIInChI=1S/C14H18N2O2S/c1-17-11-4-5-12-13(9-11)19-14(16-12)15-7-6-10-3-2-8-18-10/h4-5,9-10H,2-3,6-8H2,1H3,(H,15,16)
InChIKeyVOILBYUDYXTIDL-UHFFFAOYSA-N
XLogP3.29
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-cyclopentylethyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 79519168
5-methyl-N-[2-(oxan-2-yl)ethyl]-1,3-benzothiazol-2-amine
CID 106000299
[(2S)-oxolan-2-yl]methyl N-[(1S)-2,2,2-trichloro-1-[(6-methoxy-1,3-benzothiazol-2-yl)amino]ethyl]carbamate
CID 2306994
6-chloro-N-(oxolan-2-ylmethyl)-1,3-benzothiazol-2-amine
CID 43969130
6-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1,3-benzothiazol-2-amine
CID 106406315
N-cyclopropyl-6-methoxy-1,3-benzothiazol-2-amine
CID 78908963
methyl 3-[(6-methoxy-1,3-benzothiazol-2-yl)amino]propanoate
CID 79518052
N-[2-(5-chlorothiophen-2-yl)ethyl]-6-methoxy-1,3-benzothiazol-2-amine
CID 106049337
2-[acetyl(oxolan-2-ylmethyl)amino]-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 51044802
N-cycloheptyl-6-methoxy-1,3-benzothiazol-2-amine
CID 78908893
1-(6-methoxy-1,3-benzothiazol-2-yl)-3-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]urea
CID 95157998
6-methoxy-N-(3-methylsulfonylpropyl)-1,3-benzothiazol-2-amine
CID 79518809

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[2-(oxolan-2-yl)ethyl]-1,3-benzothiazol-2-amine?
The IUPAC name of 6-methoxy-N-[2-(oxolan-2-yl)ethyl]-1,3-benzothiazol-2-amine (CID 79518210) is 6-methoxy-N-[2-(oxolan-2-yl)ethyl]-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-methoxy-N-[2-(oxolan-2-yl)ethyl]-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-methoxy-N-[2-(oxolan-2-yl)ethyl]-1,3-benzothiazol-2-amine is COc1ccc2nc(NCCC3CCCO3)sc2c1.
What is the InChIKey of 6-methoxy-N-[2-(oxolan-2-yl)ethyl]-1,3-benzothiazol-2-amine?
The InChIKey is VOILBYUDYXTIDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-17-11-4-5-12-13(9-11)19-14(16-12)15-7-6-10-3-2-8-18-10/h4-5,9-10H,2-3,6-8H2,1H3,(H,15,16).
What are the key properties of 6-methoxy-N-[2-(oxolan-2-yl)ethyl]-1,3-benzothiazol-2-amine?
6-methoxy-N-[2-(oxolan-2-yl)ethyl]-1,3-benzothiazol-2-amine has a molecular weight of 278.38 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[2-(oxolan-2-yl)ethyl]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 79518210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).