6-[2-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl-methylamino]ethyl]-1,3-benzothiazol-2-amine

C22H27N3OS — CID 10643571

IUPAC6-[2-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl-methylamino]ethyl]-1,3-benzothiazol-2-amine
SMILESCOc1cccc2c1CCC[C@H]2CN(C)CCc1ccc2nc(N)sc2c1
InChIInChI=1S/C22H27N3OS/c1-25(12-11-15-9-10-19-21(13-15)27-22(23)24-19)14-16-5-3-7-18-17(16)6-4-8-20(18)26-2/h4,6,8-10,13,16H,3,5,7,11-12,14H2,1-2H3,(H2,23,24)/t16-/m0/s1
InChIKeyYOETVRIXTIQSDF-INIZCTEOSA-N
MW381.55 g/mol
LogP4.48
Rot. Bonds6

About 6-[2-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl-methylamino]ethyl]-1,3-benzothiazol-2-amine

6-[2-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl-methylamino]ethyl]-1,3-benzothiazol-2-amine (PubChem CID 10643571) has the molecular formula C22H27N3OS and a molecular weight of 381.55 g/mol. Its IUPAC name is 6-[2-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl-methylamino]ethyl]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-[2-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl-methylamino]ethyl]-1,3-benzothiazol-2-amine
PubChem CID10643571
Molecular FormulaC22H27N3OS
Molecular Weight381.55 g/mol
Exact Mass381.19
IUPAC Name6-[2-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl-methylamino]ethyl]-1,3-benzothiazol-2-amine
SMILESCOc1cccc2c1CCC[C@H]2CN(C)CCc1ccc2nc(N)sc2c1
InChIInChI=1S/C22H27N3OS/c1-25(12-11-15-9-10-19-21(13-15)27-22(23)24-19)14-16-5-3-7-18-17(16)6-4-8-20(18)26-2/h4,6,8-10,13,16H,3,5,7,11-12,14H2,1-2H3,(H2,23,24)/t16-/m0/s1
InChIKeyYOETVRIXTIQSDF-INIZCTEOSA-N
XLogP4.48
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.55
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-[2-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl-methylamino]ethyl]-1,3-benzothiazol-2-amine with MolForge

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Related Compounds

1-(2-Hydroxyethyl)-3-[6-(2-methoxyphenyl)-1,3-benzothiazol-2-yl]urea
CID 71655728
1-[6-(2-Methoxyphenyl)-1,3-benzothiazol-2-yl]-3-[2-(4-methylpiperazin-1-yl)ethyl]urea
CID 71655730
1-Ethyl-3-(6-(2-methoxyphenyl)benzo[d]thiazol-2-yl)urea
CID 71655597
Bcr-Abl Inhibitor 9b
CID 71655598
1-[6-(4-Amino-2-methoxyphenyl)-1,3-benzothiazol-2-yl]-3-ethylurea
CID 71655666
1-[6-(2-Methoxyphenyl)-1,3-benzothiazol-2-yl]-3-(2-morpholin-4-ylethyl)urea
CID 71655669
1-(3-Hydroxypropyl)-3-[6-(2-methoxyphenyl)-1,3-benzothiazol-2-yl]urea
CID 71655729
1-[6-(2-Ethoxyphenyl)-1,3-benzothiazol-2-yl]-3-(2-piperazin-1-ylethyl)urea
CID 71655734
[2-(2-Chloro-benzothiazol-6-yl)-ethyl]-((R)-5-methoxy-1,2,3,4-tetrahydro-naphthalen-1-ylmethyl)-methyl-amine
CID 10573100
(2-Benzothiazol-6-yl-ethyl)-((R)-5-methoxy-1,2,3,4-tetrahydro-naphthalen-1-ylmethyl)-methyl-amine
CID 11793296
N-(1-((1,4-dimethoxynaphthalen-2-yl)methyl)piperidin-4-yl)benzo[d]thiazol-2-amine
CID 24740637
6-(6-Methoxypyridin-3-yl)benzo[d]thiazol-2-amine
CID 51003592

Frequently Asked Questions

What is the IUPAC name of 6-[2-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl-methylamino]ethyl]-1,3-benzothiazol-2-amine?
The IUPAC name of 6-[2-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl-methylamino]ethyl]-1,3-benzothiazol-2-amine (CID 10643571) is 6-[2-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl-methylamino]ethyl]-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-[2-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl-methylamino]ethyl]-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-[2-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl-methylamino]ethyl]-1,3-benzothiazol-2-amine is COc1cccc2c1CCC[C@H]2CN(C)CCc1ccc2nc(N)sc2c1.
What is the InChIKey of 6-[2-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl-methylamino]ethyl]-1,3-benzothiazol-2-amine?
The InChIKey is YOETVRIXTIQSDF-INIZCTEOSA-N. The full InChI is InChI=1S/C22H27N3OS/c1-25(12-11-15-9-10-19-21(13-15)27-22(23)24-19)14-16-5-3-7-18-17(16)6-4-8-20(18)26-2/h4,6,8-10,13,16H,3,5,7,11-12,14H2,1-2H3,(H2,23,24)/t16-/m0/s1.
What are the key properties of 6-[2-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl-methylamino]ethyl]-1,3-benzothiazol-2-amine?
6-[2-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl-methylamino]ethyl]-1,3-benzothiazol-2-amine has a molecular weight of 381.55 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl-methylamino]ethyl]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 10643571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).