6-[[(2-chlorophenyl)methyl-methylamino]methyl]-1,3-benzothiazol-2-amine

C16H16ClN3S — CID 65348896

IUPAC6-[[(2-chlorophenyl)methyl-methylamino]methyl]-1,3-benzothiazol-2-amine
SMILESCN(Cc1ccc2nc(N)sc2c1)Cc1ccccc1Cl
InChIInChI=1S/C16H16ClN3S/c1-20(10-12-4-2-3-5-13(12)17)9-11-6-7-14-15(8-11)21-16(18)19-14/h2-8H,9-10H2,1H3,(H2,18,19)
InChIKeyYCZXHCGTCQSDLN-UHFFFAOYSA-N
MW317.85 g/mol
LogP4.16
Rot. Bonds4

About 6-[[(2-chlorophenyl)methyl-methylamino]methyl]-1,3-benzothiazol-2-amine

6-[[(2-chlorophenyl)methyl-methylamino]methyl]-1,3-benzothiazol-2-amine (PubChem CID 65348896) has the molecular formula C16H16ClN3S and a molecular weight of 317.85 g/mol. Its IUPAC name is 6-[[(2-chlorophenyl)methyl-methylamino]methyl]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-[[(2-chlorophenyl)methyl-methylamino]methyl]-1,3-benzothiazol-2-amine
PubChem CID65348896
Molecular FormulaC16H16ClN3S
Molecular Weight317.85 g/mol
Exact Mass317.08
IUPAC Name6-[[(2-chlorophenyl)methyl-methylamino]methyl]-1,3-benzothiazol-2-amine
SMILESCN(Cc1ccc2nc(N)sc2c1)Cc1ccccc1Cl
InChIInChI=1S/C16H16ClN3S/c1-20(10-12-4-2-3-5-13(12)17)9-11-6-7-14-15(8-11)21-16(18)19-14/h2-8H,9-10H2,1H3,(H2,18,19)
InChIKeyYCZXHCGTCQSDLN-UHFFFAOYSA-N
XLogP4.16
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.85
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[[methyl-[(3-methylphenyl)methyl]amino]methyl]-1,3-benzothiazol-2-amine
CID 65348846
6-[[methyl(pentyl)amino]methyl]-1,3-benzothiazol-2-amine
CID 65348699
2-N-[(2-chlorophenyl)methyl]-2-N-methyl-1,3-benzothiazole-2,6-diamine
CID 63231007
1-(2-chlorophenyl)-N-[(2-chlorophenyl)methyl]-N-methylmethanamine
CID 71304139
6-[(dipropylamino)methyl]-1,3-benzothiazol-2-amine
CID 65348790
5-[[(2-chlorophenyl)methyl-methylamino]methyl]-1,3,4-thiadiazol-2-amine
CID 80607038
6-[[methyl(pentan-2-yl)amino]methyl]-1,3-benzothiazol-2-amine
CID 65348987
6-[(N,2,4-trimethylanilino)methyl]-1,3-benzothiazol-2-amine
CID 65348285
N'-[(2-amino-1,3-benzothiazol-6-yl)methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 65348571
6-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-1,3-benzothiazol-2-amine
CID 65348376
N-[(2-chlorophenyl)methyl]-1-(2-hydrazinyl-4-pyridinyl)-N-methylmethanamine
CID 62471911
[4-[[(2-chlorophenyl)methyl-methylamino]methyl]-2-methoxyphenyl]methanamine
CID 106785291

Frequently Asked Questions

What is the IUPAC name of 6-[[(2-chlorophenyl)methyl-methylamino]methyl]-1,3-benzothiazol-2-amine?
The IUPAC name of 6-[[(2-chlorophenyl)methyl-methylamino]methyl]-1,3-benzothiazol-2-amine (CID 65348896) is 6-[[(2-chlorophenyl)methyl-methylamino]methyl]-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-[[(2-chlorophenyl)methyl-methylamino]methyl]-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-[[(2-chlorophenyl)methyl-methylamino]methyl]-1,3-benzothiazol-2-amine is CN(Cc1ccc2nc(N)sc2c1)Cc1ccccc1Cl.
What is the InChIKey of 6-[[(2-chlorophenyl)methyl-methylamino]methyl]-1,3-benzothiazol-2-amine?
The InChIKey is YCZXHCGTCQSDLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3S/c1-20(10-12-4-2-3-5-13(12)17)9-11-6-7-14-15(8-11)21-16(18)19-14/h2-8H,9-10H2,1H3,(H2,18,19).
What are the key properties of 6-[[(2-chlorophenyl)methyl-methylamino]methyl]-1,3-benzothiazol-2-amine?
6-[[(2-chlorophenyl)methyl-methylamino]methyl]-1,3-benzothiazol-2-amine has a molecular weight of 317.85 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(2-chlorophenyl)methyl-methylamino]methyl]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 65348896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).