6-[(N,2,4-trimethylanilino)methyl]-1,3-benzothiazol-2-amine

C17H19N3S — CID 65348285

IUPAC6-[(N,2,4-trimethylanilino)methyl]-1,3-benzothiazol-2-amine
SMILESCc1ccc(N(C)Cc2ccc3nc(N)sc3c2)c(C)c1
InChIInChI=1S/C17H19N3S/c1-11-4-7-15(12(2)8-11)20(3)10-13-5-6-14-16(9-13)21-17(18)19-14/h4-9H,10H2,1-3H3,(H2,18,19)
InChIKeyNDHKSOZXWQVJHB-UHFFFAOYSA-N
MW297.43 g/mol
LogP4.13
Rot. Bonds3

About 6-[(N,2,4-trimethylanilino)methyl]-1,3-benzothiazol-2-amine

6-[(N,2,4-trimethylanilino)methyl]-1,3-benzothiazol-2-amine (PubChem CID 65348285) has the molecular formula C17H19N3S and a molecular weight of 297.43 g/mol. Its IUPAC name is 6-[(N,2,4-trimethylanilino)methyl]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-[(N,2,4-trimethylanilino)methyl]-1,3-benzothiazol-2-amine
PubChem CID65348285
Molecular FormulaC17H19N3S
Molecular Weight297.43 g/mol
Exact Mass297.13
IUPAC Name6-[(N,2,4-trimethylanilino)methyl]-1,3-benzothiazol-2-amine
SMILESCc1ccc(N(C)Cc2ccc3nc(N)sc3c2)c(C)c1
InChIInChI=1S/C17H19N3S/c1-11-4-7-15(12(2)8-11)20(3)10-13-5-6-14-16(9-13)21-17(18)19-14/h4-9H,10H2,1-3H3,(H2,18,19)
InChIKeyNDHKSOZXWQVJHB-UHFFFAOYSA-N
XLogP4.13
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.43
LogP ≤ 54.13
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-[(dipropylamino)methyl]-1,3-benzothiazol-2-amine
CID 65348790
6-[[methyl(pentyl)amino]methyl]-1,3-benzothiazol-2-amine
CID 65348699
5-[(N,2,4-trimethylanilino)methyl]-1,3-thiazol-2-amine
CID 79771663
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-[[(2-chlorophenyl)methyl-methylamino]methyl]-1,3-benzothiazol-2-amine
CID 65348896
6-(2-methylpropyl)-1,3-benzothiazol-2-amine
CID 20771989
6-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-1,3-benzothiazol-2-amine
CID 65348376
6-(2-ethylbutyl)-1,3-benzothiazol-2-amine
CID 118873963
6-(ethylaminomethyl)-1,3-benzothiazol-2-amine
CID 65348658
2-amino-N-methyl-N-(4-methylphenyl)-1,3-benzothiazole-6-carboxamide
CID 65349067

Frequently Asked Questions

What is the IUPAC name of 6-[(N,2,4-trimethylanilino)methyl]-1,3-benzothiazol-2-amine?
The IUPAC name of 6-[(N,2,4-trimethylanilino)methyl]-1,3-benzothiazol-2-amine (CID 65348285) is 6-[(N,2,4-trimethylanilino)methyl]-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-[(N,2,4-trimethylanilino)methyl]-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-[(N,2,4-trimethylanilino)methyl]-1,3-benzothiazol-2-amine is Cc1ccc(N(C)Cc2ccc3nc(N)sc3c2)c(C)c1.
What is the InChIKey of 6-[(N,2,4-trimethylanilino)methyl]-1,3-benzothiazol-2-amine?
The InChIKey is NDHKSOZXWQVJHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3S/c1-11-4-7-15(12(2)8-11)20(3)10-13-5-6-14-16(9-13)21-17(18)19-14/h4-9H,10H2,1-3H3,(H2,18,19).
What are the key properties of 6-[(N,2,4-trimethylanilino)methyl]-1,3-benzothiazol-2-amine?
6-[(N,2,4-trimethylanilino)methyl]-1,3-benzothiazol-2-amine has a molecular weight of 297.43 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(N,2,4-trimethylanilino)methyl]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 65348285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).