6-[[methyl-[(3-methylphenyl)methyl]amino]methyl]-1,3-benzothiazol-2-amine

C17H19N3S — CID 65348846

IUPAC6-[[methyl-[(3-methylphenyl)methyl]amino]methyl]-1,3-benzothiazol-2-amine
SMILESCc1cccc(CN(C)Cc2ccc3nc(N)sc3c2)c1
InChIInChI=1S/C17H19N3S/c1-12-4-3-5-13(8-12)10-20(2)11-14-6-7-15-16(9-14)21-17(18)19-15/h3-9H,10-11H2,1-2H3,(H2,18,19)
InChIKeyWXKAPYVXITZXOC-UHFFFAOYSA-N
MW297.43 g/mol
LogP3.82
Rot. Bonds4

About 6-[[methyl-[(3-methylphenyl)methyl]amino]methyl]-1,3-benzothiazol-2-amine

6-[[methyl-[(3-methylphenyl)methyl]amino]methyl]-1,3-benzothiazol-2-amine (PubChem CID 65348846) has the molecular formula C17H19N3S and a molecular weight of 297.43 g/mol. Its IUPAC name is 6-[[methyl-[(3-methylphenyl)methyl]amino]methyl]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-[[methyl-[(3-methylphenyl)methyl]amino]methyl]-1,3-benzothiazol-2-amine
PubChem CID65348846
Molecular FormulaC17H19N3S
Molecular Weight297.43 g/mol
Exact Mass297.13
IUPAC Name6-[[methyl-[(3-methylphenyl)methyl]amino]methyl]-1,3-benzothiazol-2-amine
SMILESCc1cccc(CN(C)Cc2ccc3nc(N)sc3c2)c1
InChIInChI=1S/C17H19N3S/c1-12-4-3-5-13(8-12)10-20(2)11-14-6-7-15-16(9-14)21-17(18)19-15/h3-9H,10-11H2,1-2H3,(H2,18,19)
InChIKeyWXKAPYVXITZXOC-UHFFFAOYSA-N
XLogP3.82
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.43
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[[(2-chlorophenyl)methyl-methylamino]methyl]-1,3-benzothiazol-2-amine
CID 65348896
6-[[methyl(pentyl)amino]methyl]-1,3-benzothiazol-2-amine
CID 65348699
6-[(N,2,4-trimethylanilino)methyl]-1,3-benzothiazol-2-amine
CID 65348285
4-[[methyl-[(3-methylphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine
CID 61414352
5-[[methyl-[(3-methylphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine
CID 79772147
6-(3-methylphenyl)-1,3-benzothiazol-2-amine
CID 143885488
6-[(dipropylamino)methyl]-1,3-benzothiazol-2-amine
CID 65348790
3-[[methyl-[(3-methylphenyl)methyl]amino]methyl]aniline
CID 43383732
6-[[methyl(pentan-2-yl)amino]methyl]-1,3-benzothiazol-2-amine
CID 65348987
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
6-(2-methylpropyl)-1,3-benzothiazol-2-amine
CID 20771989

Frequently Asked Questions

What is the IUPAC name of 6-[[methyl-[(3-methylphenyl)methyl]amino]methyl]-1,3-benzothiazol-2-amine?
The IUPAC name of 6-[[methyl-[(3-methylphenyl)methyl]amino]methyl]-1,3-benzothiazol-2-amine (CID 65348846) is 6-[[methyl-[(3-methylphenyl)methyl]amino]methyl]-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-[[methyl-[(3-methylphenyl)methyl]amino]methyl]-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-[[methyl-[(3-methylphenyl)methyl]amino]methyl]-1,3-benzothiazol-2-amine is Cc1cccc(CN(C)Cc2ccc3nc(N)sc3c2)c1.
What is the InChIKey of 6-[[methyl-[(3-methylphenyl)methyl]amino]methyl]-1,3-benzothiazol-2-amine?
The InChIKey is WXKAPYVXITZXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3S/c1-12-4-3-5-13(8-12)10-20(2)11-14-6-7-15-16(9-14)21-17(18)19-15/h3-9H,10-11H2,1-2H3,(H2,18,19).
What are the key properties of 6-[[methyl-[(3-methylphenyl)methyl]amino]methyl]-1,3-benzothiazol-2-amine?
6-[[methyl-[(3-methylphenyl)methyl]amino]methyl]-1,3-benzothiazol-2-amine has a molecular weight of 297.43 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[methyl-[(3-methylphenyl)methyl]amino]methyl]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 65348846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).