[2-[(4-chlorophenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]methanamine

C15H17ClN2S — CID 115066945

IUPAC[2-[(4-chlorophenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]methanamine
SMILESNCC1CCc2nc(Cc3ccc(Cl)cc3)sc2C1
InChIInChI=1S/C15H17ClN2S/c16-12-4-1-10(2-5-12)8-15-18-13-6-3-11(9-17)7-14(13)19-15/h1-2,4-5,11H,3,6-9,17H2
InChIKeyYCTAZQZEONHTBF-UHFFFAOYSA-N
MW292.83 g/mol
LogP3.45
Rot. Bonds3

About [2-[(4-chlorophenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]methanamine

[2-[(4-chlorophenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]methanamine (PubChem CID 115066945) has the molecular formula C15H17ClN2S and a molecular weight of 292.83 g/mol. Its IUPAC name is [2-[(4-chlorophenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]methanamine.

Molecular Properties

Compound Name[2-[(4-chlorophenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]methanamine
PubChem CID115066945
Molecular FormulaC15H17ClN2S
Molecular Weight292.83 g/mol
Exact Mass292.08
IUPAC Name[2-[(4-chlorophenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]methanamine
SMILESNCC1CCc2nc(Cc3ccc(Cl)cc3)sc2C1
InChIInChI=1S/C15H17ClN2S/c16-12-4-1-10(2-5-12)8-15-18-13-6-3-11(9-17)7-14(13)19-15/h1-2,4-5,11H,3,6-9,17H2
InChIKeyYCTAZQZEONHTBF-UHFFFAOYSA-N
XLogP3.45
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.83
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-[(4-chlorophenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]methanamine?
The IUPAC name of [2-[(4-chlorophenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]methanamine (CID 115066945) is [2-[(4-chlorophenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]methanamine.
What is the SMILES notation for [2-[(4-chlorophenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]methanamine?
The canonical SMILES for [2-[(4-chlorophenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]methanamine is NCC1CCc2nc(Cc3ccc(Cl)cc3)sc2C1.
What is the InChIKey of [2-[(4-chlorophenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]methanamine?
The InChIKey is YCTAZQZEONHTBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2S/c16-12-4-1-10(2-5-12)8-15-18-13-6-3-11(9-17)7-14(13)19-15/h1-2,4-5,11H,3,6-9,17H2.
What are the key properties of [2-[(4-chlorophenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]methanamine?
[2-[(4-chlorophenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]methanamine has a molecular weight of 292.83 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-chlorophenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]methanamine is sourced from PubChem (CID 115066945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).