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

C15H18N2OS — CID 62652486

IUPAC1-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)propan-2-amine
SMILESCOc1ccc2c(c1)CCc1sc(CC(C)N)nc1-2
InChIInChI=1S/C15H18N2OS/c1-9(16)7-14-17-15-12-5-4-11(18-2)8-10(12)3-6-13(15)19-14/h4-5,8-9H,3,6-7,16H2,1-2H3
InChIKeySMULKAXVZHYTAT-UHFFFAOYSA-N
MW274.39 g/mol
LogP2.81
Rot. Bonds3

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

1-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)propan-2-amine (PubChem CID 62652486) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is 1-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)propan-2-amine.

Molecular Properties

Compound Name1-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)propan-2-amine
PubChem CID62652486
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name1-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)propan-2-amine
SMILESCOc1ccc2c(c1)CCc1sc(CC(C)N)nc1-2
InChIInChI=1S/C15H18N2OS/c1-9(16)7-14-17-15-12-5-4-11(18-2)8-10(12)3-6-13(15)19-14/h4-5,8-9H,3,6-7,16H2,1-2H3
InChIKeySMULKAXVZHYTAT-UHFFFAOYSA-N
XLogP2.81
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)methyl]-2-methylpropan-1-amine
CID 62921983
2-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)acetonitrile
CID 24693523
1-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)propan-1-amine
CID 61336437
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)cyclobutan-1-amine
CID 62942885
2-hydroxy-N-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)propanamide
CID 50939132
1-(4H-indeno[1,2-d][1,3]thiazol-2-yl)propan-2-amine
CID 62652857
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
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
2-(7-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)ethanamine
CID 79375047

Frequently Asked Questions

What is the IUPAC name of 1-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)propan-2-amine?
The IUPAC name of 1-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)propan-2-amine (CID 62652486) is 1-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)propan-2-amine.
What is the SMILES notation for 1-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)propan-2-amine?
The canonical SMILES for 1-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)propan-2-amine is COc1ccc2c(c1)CCc1sc(CC(C)N)nc1-2.
What is the InChIKey of 1-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)propan-2-amine?
The InChIKey is SMULKAXVZHYTAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-9(16)7-14-17-15-12-5-4-11(18-2)8-10(12)3-6-13(15)19-14/h4-5,8-9H,3,6-7,16H2,1-2H3.
What are the key properties of 1-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)propan-2-amine?
1-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)propan-2-amine has a molecular weight of 274.39 g/mol, XLogP of 2.81, 3 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)propan-2-amine is sourced from PubChem (CID 62652486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).