1-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)cyclobutan-1-amine

C16H18N2OS — CID 62942885

IUPAC1-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)cyclobutan-1-amine
SMILESCOc1ccc2c(c1)CCc1sc(C3(N)CCC3)nc1-2
InChIInChI=1S/C16H18N2OS/c1-19-11-4-5-12-10(9-11)3-6-13-14(12)18-15(20-13)16(17)7-2-8-16/h4-5,9H,2-3,6-8,17H2,1H3
InChIKeyJFWMTWSGLOHQKO-UHFFFAOYSA-N
MW286.40 g/mol
LogP3.26
Rot. Bonds2

About 1-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)cyclobutan-1-amine

1-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)cyclobutan-1-amine (PubChem CID 62942885) has the molecular formula C16H18N2OS and a molecular weight of 286.40 g/mol. Its IUPAC name is 1-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)cyclobutan-1-amine.

Molecular Properties

Compound Name1-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)cyclobutan-1-amine
PubChem CID62942885
Molecular FormulaC16H18N2OS
Molecular Weight286.40 g/mol
Exact Mass286.11
IUPAC Name1-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)cyclobutan-1-amine
SMILESCOc1ccc2c(c1)CCc1sc(C3(N)CCC3)nc1-2
InChIInChI=1S/C16H18N2OS/c1-19-11-4-5-12-10(9-11)3-6-13-14(12)18-15(20-13)16(17)7-2-8-16/h4-5,9H,2-3,6-8,17H2,1H3
InChIKeyJFWMTWSGLOHQKO-UHFFFAOYSA-N
XLogP3.26
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

cobalt(2+);7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-amine
CID 71595556
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)propan-1-amine
CID 61336437
2-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)acetonitrile
CID 24693523
N-[(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)methyl]-2-methylpropan-1-amine
CID 62921983
N-hydroxy-N'-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)methanimidamide
CID 6409661
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
2-(4,5-dimethyl-1,3-thiazol-2-yl)-7-methoxy-3,4-dihydro-1H-naphthalen-2-amine
CID 115510886
1-(4-chloro-3-methoxyphenyl)-N-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)methanimine
CID 23904578
N-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)decanamide
CID 2727896
4-chloro-N-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)benzamide
CID 4103019

Frequently Asked Questions

What is the IUPAC name of 1-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)cyclobutan-1-amine?
The IUPAC name of 1-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)cyclobutan-1-amine (CID 62942885) is 1-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)cyclobutan-1-amine.
What is the SMILES notation for 1-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)cyclobutan-1-amine?
The canonical SMILES for 1-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)cyclobutan-1-amine is COc1ccc2c(c1)CCc1sc(C3(N)CCC3)nc1-2.
What is the InChIKey of 1-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)cyclobutan-1-amine?
The InChIKey is JFWMTWSGLOHQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2OS/c1-19-11-4-5-12-10(9-11)3-6-13-14(12)18-15(20-13)16(17)7-2-8-16/h4-5,9H,2-3,6-8,17H2,1H3.
What are the key properties of 1-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)cyclobutan-1-amine?
1-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)cyclobutan-1-amine has a molecular weight of 286.40 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)cyclobutan-1-amine is sourced from PubChem (CID 62942885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).