cobalt(2+);7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-amine

C12H12CoN2OS+2 — CID 71595556

IUPACcobalt(2+);7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-amine
SMILESCOc1ccc2c(c1)CCc1sc(N)nc1-2.[Co+2]
InChIInChI=1S/C12H12N2OS.Co/c1-15-8-3-4-9-7(6-8)2-5-10-11(9)14-12(13)16-10;/h3-4,6H,2,5H2,1H3,(H2,13,14);/q;+2
InChIKeyIVTFGNYLENTVSW-UHFFFAOYSA-N
MW291.24 g/mol
LogP2.50
Rot. Bonds1

About cobalt(2+);7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-amine

cobalt(2+);7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-amine (PubChem CID 71595556) has the molecular formula C12H12CoN2OS+2 and a molecular weight of 291.24 g/mol. Its IUPAC name is cobalt(2+);7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-amine.

Molecular Properties

Compound Namecobalt(2+);7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-amine
PubChem CID71595556
Molecular FormulaC12H12CoN2OS+2
Molecular Weight291.24 g/mol
Exact Mass291.00
IUPAC Namecobalt(2+);7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-amine
SMILESCOc1ccc2c(c1)CCc1sc(N)nc1-2.[Co+2]
InChIInChI=1S/C12H12N2OS.Co/c1-15-8-3-4-9-7(6-8)2-5-10-11(9)14-12(13)16-10;/h3-4,6H,2,5H2,1H3,(H2,13,14);/q;+2
InChIKeyIVTFGNYLENTVSW-UHFFFAOYSA-N
XLogP2.50
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.24
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)propan-2-amine
CID 62652486
1-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)cyclobutan-1-amine
CID 62942885
1-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)propan-1-amine
CID 61336437
2-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)acetonitrile
CID 24693523
N-hydroxy-N'-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)methanimidamide
CID 6409661
N-[(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)methyl]-2-methylpropan-1-amine
CID 62921983
4-[(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)iminomethyl]phenol
CID 135670479
2-hydroxy-N-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)propanamide
CID 50939132
4-chloro-N-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)benzamide
CID 4103019
4,5-dihydro-[1,3]thiazolo[4,5-f]isoquinolin-2-amine
CID 15065266
1-(4-chloro-3-methoxyphenyl)-N-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)methanimine
CID 23904578
2-methoxy-6-[(E)-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)iminomethyl]phenol
CID 135578290

Frequently Asked Questions

What is the IUPAC name of cobalt(2+);7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-amine?
The IUPAC name of cobalt(2+);7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-amine (CID 71595556) is cobalt(2+);7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-amine.
What is the SMILES notation for cobalt(2+);7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-amine?
The canonical SMILES for cobalt(2+);7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-amine is COc1ccc2c(c1)CCc1sc(N)nc1-2.[Co+2].
What is the InChIKey of cobalt(2+);7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-amine?
The InChIKey is IVTFGNYLENTVSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2OS.Co/c1-15-8-3-4-9-7(6-8)2-5-10-11(9)14-12(13)16-10;/h3-4,6H,2,5H2,1H3,(H2,13,14);/q;+2.
What are the key properties of cobalt(2+);7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-amine?
cobalt(2+);7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-amine has a molecular weight of 291.24 g/mol, XLogP of 2.50, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(2+);7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-amine is sourced from PubChem (CID 71595556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).