6-methoxy-[1,4,2]diazaphospholo[5,1-b][1,3]benzothiazole

C9H7N2OPS — CID 134989757

IUPAC6-methoxy-[1,4,2]diazaphospholo[5,1-b][1,3]benzothiazole
SMILESCOc1ccc2c(c1)sc1ncpn12
InChIInChI=1S/C9H7N2OPS/c1-12-6-2-3-7-8(4-6)14-9-10-5-13-11(7)9/h2-5H,1H3
InChIKeyFIGWRBUZICWHSI-UHFFFAOYSA-N
MW222.21 g/mol
LogP3.14
Rot. Bonds1

About 6-methoxy-[1,4,2]diazaphospholo[5,1-b][1,3]benzothiazole

6-methoxy-[1,4,2]diazaphospholo[5,1-b][1,3]benzothiazole (PubChem CID 134989757) has the molecular formula C9H7N2OPS and a molecular weight of 222.21 g/mol. Its IUPAC name is 6-methoxy-[1,4,2]diazaphospholo[5,1-b][1,3]benzothiazole.

Molecular Properties

Compound Name6-methoxy-[1,4,2]diazaphospholo[5,1-b][1,3]benzothiazole
PubChem CID134989757
Molecular FormulaC9H7N2OPS
Molecular Weight222.21 g/mol
Exact Mass222.00
IUPAC Name6-methoxy-[1,4,2]diazaphospholo[5,1-b][1,3]benzothiazole
SMILESCOc1ccc2c(c1)sc1ncpn12
InChIInChI=1S/C9H7N2OPS/c1-12-6-2-3-7-8(4-6)14-9-10-5-13-11(7)9/h2-5H,1H3
InChIKeyFIGWRBUZICWHSI-UHFFFAOYSA-N
XLogP3.14
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.21
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(6-methoxy-[1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-yl)aniline
CID 82167434
2-(4-ethylphenyl)-6-methoxyimidazo[2,1-b][1,3]benzothiazole
CID 19209631
1-(6-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)ethanamine;hydrochloride
CID 82020583
6-methoxy-N-phenyl-[1,2,4]oxadiazolo[3,4-b][1,3]benzothiazol-1-imine
CID 162403423
5-(6-methoxy-[1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-yl)pentan-1-amine
CID 82167428
2-(3,5-dimethoxyphenyl)-6-methoxy-N-(2-methoxyethyl)imidazo[2,1-b][1,3]benzothiazol-1-amine
CID 53205387
3,5-dimethoxy-N-(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
CID 4670224
2-(2,4-dimethoxyphenyl)-6-methylimidazo[2,1-b][1,3]benzothiazole
CID 735306
4-[1-(tert-butylamino)-6-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl]phenol
CID 53205382
6-methoxy-2-(3-nitrophenyl)imidazo[2,1-b][1,3]benzothiazole
CID 19209639
2-hydroxy-8-methoxy-3-(2,4,6-trimethylphenyl)pyrimido[2,1-b][1,3]benzothiazol-4-one
CID 135401404
4-N-[(E)-(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)amino]-1-N-methylcyclohexa-2,5-diene-1,4-diimine
CID 20677967

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-[1,4,2]diazaphospholo[5,1-b][1,3]benzothiazole?
The IUPAC name of 6-methoxy-[1,4,2]diazaphospholo[5,1-b][1,3]benzothiazole (CID 134989757) is 6-methoxy-[1,4,2]diazaphospholo[5,1-b][1,3]benzothiazole.
What is the SMILES notation for 6-methoxy-[1,4,2]diazaphospholo[5,1-b][1,3]benzothiazole?
The canonical SMILES for 6-methoxy-[1,4,2]diazaphospholo[5,1-b][1,3]benzothiazole is COc1ccc2c(c1)sc1ncpn12.
What is the InChIKey of 6-methoxy-[1,4,2]diazaphospholo[5,1-b][1,3]benzothiazole?
The InChIKey is FIGWRBUZICWHSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N2OPS/c1-12-6-2-3-7-8(4-6)14-9-10-5-13-11(7)9/h2-5H,1H3.
What are the key properties of 6-methoxy-[1,4,2]diazaphospholo[5,1-b][1,3]benzothiazole?
6-methoxy-[1,4,2]diazaphospholo[5,1-b][1,3]benzothiazole has a molecular weight of 222.21 g/mol, XLogP of 3.14, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-[1,4,2]diazaphospholo[5,1-b][1,3]benzothiazole is sourced from PubChem (CID 134989757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).