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

C15H18N2OS — CID 61336437

IUPAC1-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)propan-1-amine
SMILESCCC(N)c1nc2c(s1)CCc1cc(OC)ccc1-2
InChIInChI=1S/C15H18N2OS/c1-3-12(16)15-17-14-11-6-5-10(18-2)8-9(11)4-7-13(14)19-15/h5-6,8,12H,3-4,7,16H2,1-2H3
InChIKeyXDTBKVGDMHSCKB-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.33
Rot. Bonds3

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

1-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)propan-1-amine (PubChem CID 61336437) 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-1-amine.

Molecular Properties

Compound Name1-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)propan-1-amine
PubChem CID61336437
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name1-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)propan-1-amine
SMILESCCC(N)c1nc2c(s1)CCc1cc(OC)ccc1-2
InChIInChI=1S/C15H18N2OS/c1-3-12(16)15-17-14-11-6-5-10(18-2)8-9(11)4-7-13(14)19-15/h5-6,8,12H,3-4,7,16H2,1-2H3
InChIKeyXDTBKVGDMHSCKB-UHFFFAOYSA-N
XLogP3.33
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 ≤ 53.33
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
cobalt(2+);7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-amine
CID 71595556
2-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)acetonitrile
CID 24693523
1-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]propan-1-amine
CID 61336837
1-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)cyclobutan-1-amine
CID 62942885
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
2-hydroxy-N-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)propanamide
CID 50939132
N-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)decanamide
CID 2727896
4-[(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)iminomethyl]phenol
CID 135670479
2-fluoro-N-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)benzamide
CID 1209992
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)propan-1-amine?
The IUPAC name of 1-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)propan-1-amine (CID 61336437) is 1-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)propan-1-amine.
What is the SMILES notation for 1-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)propan-1-amine?
The canonical SMILES for 1-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)propan-1-amine is CCC(N)c1nc2c(s1)CCc1cc(OC)ccc1-2.
What is the InChIKey of 1-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)propan-1-amine?
The InChIKey is XDTBKVGDMHSCKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-3-12(16)15-17-14-11-6-5-10(18-2)8-9(11)4-7-13(14)19-15/h5-6,8,12H,3-4,7,16H2,1-2H3.
What are the key properties of 1-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)propan-1-amine?
1-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)propan-1-amine has a molecular weight of 274.39 g/mol, XLogP of 3.33, 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-1-amine is sourced from PubChem (CID 61336437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).