2-N-[(2-chlorophenyl)methyl]-2-N-methyl-1,3-benzothiazole-2,6-diamine

C15H14ClN3S — CID 63231007

IUPAC2-N-[(2-chlorophenyl)methyl]-2-N-methyl-1,3-benzothiazole-2,6-diamine
SMILESCN(Cc1ccccc1Cl)c1nc2ccc(N)cc2s1
InChIInChI=1S/C15H14ClN3S/c1-19(9-10-4-2-3-5-12(10)16)15-18-13-7-6-11(17)8-14(13)20-15/h2-8H,9,17H2,1H3
InChIKeyCLRSWEPAZWYUDP-UHFFFAOYSA-N
MW303.82 g/mol
LogP4.17
Rot. Bonds3

About 2-N-[(2-chlorophenyl)methyl]-2-N-methyl-1,3-benzothiazole-2,6-diamine

2-N-[(2-chlorophenyl)methyl]-2-N-methyl-1,3-benzothiazole-2,6-diamine (PubChem CID 63231007) has the molecular formula C15H14ClN3S and a molecular weight of 303.82 g/mol. Its IUPAC name is 2-N-[(2-chlorophenyl)methyl]-2-N-methyl-1,3-benzothiazole-2,6-diamine.

Molecular Properties

Compound Name2-N-[(2-chlorophenyl)methyl]-2-N-methyl-1,3-benzothiazole-2,6-diamine
PubChem CID63231007
Molecular FormulaC15H14ClN3S
Molecular Weight303.82 g/mol
Exact Mass303.06
IUPAC Name2-N-[(2-chlorophenyl)methyl]-2-N-methyl-1,3-benzothiazole-2,6-diamine
SMILESCN(Cc1ccccc1Cl)c1nc2ccc(N)cc2s1
InChIInChI=1S/C15H14ClN3S/c1-19(9-10-4-2-3-5-12(10)16)15-18-13-7-6-11(17)8-14(13)20-15/h2-8H,9,17H2,1H3
InChIKeyCLRSWEPAZWYUDP-UHFFFAOYSA-N
XLogP4.17
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.82
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-N-methyl-2-N-(thiophen-2-ylmethyl)-1,3-benzothiazole-2,6-diamine
CID 55174185
2-N-methyl-2-N-[(5-methylfuran-2-yl)methyl]-1,3-benzothiazole-2,6-diamine
CID 63231406
2-N-(cyclopropylmethyl)-2-N-methyl-1,3-benzothiazole-2,6-diamine
CID 63231248
6-[[(2-chlorophenyl)methyl-methylamino]methyl]-1,3-benzothiazol-2-amine
CID 65348896
3-[[(6-amino-1,3-benzothiazol-2-yl)-methylamino]methyl]benzonitrile
CID 63231223
2-N-[3-(diethylamino)propyl]-2-N-methyl-1,3-benzothiazole-2,6-diamine
CID 68770772
5-(1-aminoethyl)-N-[(2-chlorophenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine
CID 62749851
4-chloro-N-[(2-chlorophenyl)methyl]-N-methyl-1,3-thiazol-2-amine
CID 83156449
2-N-(3,5-dimethylphenyl)-2-N-methyl-1,3-benzothiazole-2,6-diamine
CID 63405939
2-N-methyl-2-N-[(1-methylpiperidin-4-yl)methyl]-1,3-benzothiazole-2,6-diamine
CID 63233465
5-(aminomethyl)-N-[(2-chlorophenyl)methyl]-4-cyclopropyl-N-methyl-1,3-thiazol-2-amine
CID 63918558
6-chloro-4-N-[(2-chlorophenyl)methyl]-4-N-methylpyrimidine-2,4-diamine
CID 31537704

Frequently Asked Questions

What is the IUPAC name of 2-N-[(2-chlorophenyl)methyl]-2-N-methyl-1,3-benzothiazole-2,6-diamine?
The IUPAC name of 2-N-[(2-chlorophenyl)methyl]-2-N-methyl-1,3-benzothiazole-2,6-diamine (CID 63231007) is 2-N-[(2-chlorophenyl)methyl]-2-N-methyl-1,3-benzothiazole-2,6-diamine.
What is the SMILES notation for 2-N-[(2-chlorophenyl)methyl]-2-N-methyl-1,3-benzothiazole-2,6-diamine?
The canonical SMILES for 2-N-[(2-chlorophenyl)methyl]-2-N-methyl-1,3-benzothiazole-2,6-diamine is CN(Cc1ccccc1Cl)c1nc2ccc(N)cc2s1.
What is the InChIKey of 2-N-[(2-chlorophenyl)methyl]-2-N-methyl-1,3-benzothiazole-2,6-diamine?
The InChIKey is CLRSWEPAZWYUDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3S/c1-19(9-10-4-2-3-5-12(10)16)15-18-13-7-6-11(17)8-14(13)20-15/h2-8H,9,17H2,1H3.
What are the key properties of 2-N-[(2-chlorophenyl)methyl]-2-N-methyl-1,3-benzothiazole-2,6-diamine?
2-N-[(2-chlorophenyl)methyl]-2-N-methyl-1,3-benzothiazole-2,6-diamine has a molecular weight of 303.82 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(2-chlorophenyl)methyl]-2-N-methyl-1,3-benzothiazole-2,6-diamine is sourced from PubChem (CID 63231007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).