7-[2-(2-methoxyethyl)phenyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine

C16H20N2OS — CID 102907517

IUPAC7-[2-(2-methoxyethyl)phenyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
SMILESCOCCc1ccccc1C1CCCc2nc(N)sc21
InChIInChI=1S/C16H20N2OS/c1-19-10-9-11-5-2-3-6-12(11)13-7-4-8-14-15(13)20-16(17)18-14/h2-3,5-6,13H,4,7-10H2,1H3,(H2,17,18)
InChIKeySHHQRZBOXRTYEJ-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.38
Rot. Bonds4

About 7-[2-(2-methoxyethyl)phenyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine

7-[2-(2-methoxyethyl)phenyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine (PubChem CID 102907517) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is 7-[2-(2-methoxyethyl)phenyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name7-[2-(2-methoxyethyl)phenyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
PubChem CID102907517
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name7-[2-(2-methoxyethyl)phenyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
SMILESCOCCc1ccccc1C1CCCc2nc(N)sc21
InChIInChI=1S/C16H20N2OS/c1-19-10-9-11-5-2-3-6-12(11)13-7-4-8-14-15(13)20-16(17)18-14/h2-3,5-6,13H,4,7-10H2,1H3,(H2,17,18)
InChIKeySHHQRZBOXRTYEJ-UHFFFAOYSA-N
XLogP3.38
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-[2-(2-methoxyethyl)phenyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine with MolForge

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Related Compounds

7-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
CID 162743847
7-(2,4,5-trifluorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
CID 79625621
7-(5-chloro-2-fluorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
CID 79625169
7-(4-chloro-3-methoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
CID 107622754
7-(2,5-dichloro-4-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
CID 104727929
7-(3-bromoquinolin-8-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
CID 116785345
7-(2,3,4,5,6-pentafluorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
CID 115564801
7-(3,5-dichlorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
CID 79625918
7-(3-fluoro-4-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
CID 79624951
2-(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)-5-bromobenzonitrile
CID 82703534
7-[4-chloro-2-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
CID 79626367
6-(5-methoxy-2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine
CID 114252799

Frequently Asked Questions

What is the IUPAC name of 7-[2-(2-methoxyethyl)phenyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine?
The IUPAC name of 7-[2-(2-methoxyethyl)phenyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine (CID 102907517) is 7-[2-(2-methoxyethyl)phenyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine.
What is the SMILES notation for 7-[2-(2-methoxyethyl)phenyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine?
The canonical SMILES for 7-[2-(2-methoxyethyl)phenyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine is COCCc1ccccc1C1CCCc2nc(N)sc21.
What is the InChIKey of 7-[2-(2-methoxyethyl)phenyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine?
The InChIKey is SHHQRZBOXRTYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-19-10-9-11-5-2-3-6-12(11)13-7-4-8-14-15(13)20-16(17)18-14/h2-3,5-6,13H,4,7-10H2,1H3,(H2,17,18).
What are the key properties of 7-[2-(2-methoxyethyl)phenyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine?
7-[2-(2-methoxyethyl)phenyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine has a molecular weight of 288.42 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(2-methoxyethyl)phenyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine is sourced from PubChem (CID 102907517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).