6-methoxy-1,3-benzothiazol-2-amine;6-methoxy-1,3-benzothiazole

C16H15N3O2S2 — CID 159412821

IUPAC6-methoxy-1,3-benzothiazol-2-amine;6-methoxy-1,3-benzothiazole
SMILESCOc1ccc2nc(N)sc2c1.COc1ccc2ncsc2c1
InChIInChI=1S/C8H8N2OS.C8H7NOS/c1-11-5-2-3-6-7(4-5)12-8(9)10-6;1-10-6-2-3-7-8(4-6)11-5-9-7/h2-4H,1H3,(H2,9,10);2-5H,1H3
InChIKeyLOUGDHRWCABQDF-UHFFFAOYSA-N
MW345.45 g/mol
LogP4.19
Rot. Bonds2

About 6-methoxy-1,3-benzothiazol-2-amine;6-methoxy-1,3-benzothiazole

6-methoxy-1,3-benzothiazol-2-amine;6-methoxy-1,3-benzothiazole (PubChem CID 159412821) has the molecular formula C16H15N3O2S2 and a molecular weight of 345.45 g/mol. Its IUPAC name is 6-methoxy-1,3-benzothiazol-2-amine;6-methoxy-1,3-benzothiazole.

Molecular Properties

Compound Name6-methoxy-1,3-benzothiazol-2-amine;6-methoxy-1,3-benzothiazole
PubChem CID159412821
Molecular FormulaC16H15N3O2S2
Molecular Weight345.45 g/mol
Exact Mass345.06
IUPAC Name6-methoxy-1,3-benzothiazol-2-amine;6-methoxy-1,3-benzothiazole
SMILESCOc1ccc2nc(N)sc2c1.COc1ccc2ncsc2c1
InChIInChI=1S/C8H8N2OS.C8H7NOS/c1-11-5-2-3-6-7(4-5)12-8(9)10-6;1-10-6-2-3-7-8(4-6)11-5-9-7/h2-4H,1H3,(H2,9,10);2-5H,1H3
InChIKeyLOUGDHRWCABQDF-UHFFFAOYSA-N
XLogP4.19
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

CID 158604119
CID 158604119
6-(4-methoxyphenyl)-1,3-benzothiazole
CID 91124365
6-methoxy-1,3-benzothiazole;toluene
CID 70544898
6-(2-fluoroethoxy)-1,3-benzothiazol-2-amine
CID 59282924
6-(1,1-difluoroethoxy)-1,3-benzothiazol-2-amine
CID 89211366
5-(6-methoxy-1,3-benzothiazol-2-yl)pyrimidin-2-amine
CID 24804069
6-[(4-fluorophenyl)methoxy]-1,3-benzothiazol-2-amine
CID 17244955
6-methoxy-2-[(6-methoxy-1,3-benzothiazol-2-yl)disulfanyl]-1,3-benzothiazole
CID 20537765
N-(6-methoxy-1,3-benzothiazol-2-yl)-N-[(E)-(4-methoxyphenyl)methylideneamino]-1,3-benzothiazole-6-carboxamide
CID 44946020
6-(trifluoromethoxy)-1,3-benzothiazol-2-amine;hydrochloride
CID 6419992
6-(6,7-dimethoxynaphthalen-1-yl)oxy-1,3-benzothiazol-2-amine
CID 130443924
(6-methoxy-1,3-benzothiazol-2-yl)-phenylmethanamine
CID 79510887

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1,3-benzothiazol-2-amine;6-methoxy-1,3-benzothiazole?
The IUPAC name of 6-methoxy-1,3-benzothiazol-2-amine;6-methoxy-1,3-benzothiazole (CID 159412821) is 6-methoxy-1,3-benzothiazol-2-amine;6-methoxy-1,3-benzothiazole.
What is the SMILES notation for 6-methoxy-1,3-benzothiazol-2-amine;6-methoxy-1,3-benzothiazole?
The canonical SMILES for 6-methoxy-1,3-benzothiazol-2-amine;6-methoxy-1,3-benzothiazole is COc1ccc2nc(N)sc2c1.COc1ccc2ncsc2c1.
What is the InChIKey of 6-methoxy-1,3-benzothiazol-2-amine;6-methoxy-1,3-benzothiazole?
The InChIKey is LOUGDHRWCABQDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2OS.C8H7NOS/c1-11-5-2-3-6-7(4-5)12-8(9)10-6;1-10-6-2-3-7-8(4-6)11-5-9-7/h2-4H,1H3,(H2,9,10);2-5H,1H3.
What are the key properties of 6-methoxy-1,3-benzothiazol-2-amine;6-methoxy-1,3-benzothiazole?
6-methoxy-1,3-benzothiazol-2-amine;6-methoxy-1,3-benzothiazole has a molecular weight of 345.45 g/mol, XLogP of 4.19, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1,3-benzothiazol-2-amine;6-methoxy-1,3-benzothiazole is sourced from PubChem (CID 159412821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).