5-N-(2,5-dimethylphenyl)-2-methyl-1,3-benzothiazole-5,6-diamine

C16H17N3S — CID 43450560

IUPAC5-N-(2,5-dimethylphenyl)-2-methyl-1,3-benzothiazole-5,6-diamine
SMILESCc1ccc(C)c(Nc2cc3nc(C)sc3cc2N)c1
InChIInChI=1S/C16H17N3S/c1-9-4-5-10(2)13(6-9)19-14-8-15-16(7-12(14)17)20-11(3)18-15/h4-8,19H,17H2,1-3H3
InChIKeyZMBCMGNXTGXMTN-UHFFFAOYSA-N
MW283.40 g/mol
LogP4.55
Rot. Bonds2

About 5-N-(2,5-dimethylphenyl)-2-methyl-1,3-benzothiazole-5,6-diamine

5-N-(2,5-dimethylphenyl)-2-methyl-1,3-benzothiazole-5,6-diamine (PubChem CID 43450560) has the molecular formula C16H17N3S and a molecular weight of 283.40 g/mol. Its IUPAC name is 5-N-(2,5-dimethylphenyl)-2-methyl-1,3-benzothiazole-5,6-diamine.

Molecular Properties

Compound Name5-N-(2,5-dimethylphenyl)-2-methyl-1,3-benzothiazole-5,6-diamine
PubChem CID43450560
Molecular FormulaC16H17N3S
Molecular Weight283.40 g/mol
Exact Mass283.11
IUPAC Name5-N-(2,5-dimethylphenyl)-2-methyl-1,3-benzothiazole-5,6-diamine
SMILESCc1ccc(C)c(Nc2cc3nc(C)sc3cc2N)c1
InChIInChI=1S/C16H17N3S/c1-9-4-5-10(2)13(6-9)19-14-8-15-16(7-12(14)17)20-11(3)18-15/h4-8,19H,17H2,1-3H3
InChIKeyZMBCMGNXTGXMTN-UHFFFAOYSA-N
XLogP4.55
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-N-(4-fluoro-2-methylphenyl)-2-methyl-1,3-benzothiazole-5,6-diamine
CID 43450580
2-methyl-5-N-(2,4,5-trichlorophenyl)-1,3-benzothiazole-5,6-diamine
CID 43450525
5-N-(2,6-dichlorophenyl)-2-methyl-1,3-benzothiazole-5,6-diamine
CID 65468508
5-N-(3-chloro-2-fluorophenyl)-2-methyl-1,3-benzothiazole-5,6-diamine
CID 43450598
5-N-(4-bromo-2,5-difluorophenyl)-2-methyl-1,3-benzothiazole-5,6-diamine
CID 107608983
2-methyl-1,3-benzothiazole-5,6-diamine
CID 43450604
4-[(6-amino-2-methyl-1,3-benzothiazol-5-yl)amino]-3-bromobenzonitrile
CID 107787232
5-N-(3-bromo-4-fluorophenyl)-2-methyl-1,3-benzothiazole-5,6-diamine
CID 104775598
3-[(6-amino-2-methyl-1,3-benzothiazol-5-yl)amino]benzonitrile
CID 43450566
5-N-(4-fluoro-3-methoxyphenyl)-2-methyl-1,3-benzothiazole-5,6-diamine
CID 114837142
2-methyl-5-N-(3,3,3-trifluoropropyl)-1,3-benzothiazole-5,6-diamine
CID 63226065
2,6-dimethyl-1,3-benzothiazol-5-amine
CID 46912036

Frequently Asked Questions

What is the IUPAC name of 5-N-(2,5-dimethylphenyl)-2-methyl-1,3-benzothiazole-5,6-diamine?
The IUPAC name of 5-N-(2,5-dimethylphenyl)-2-methyl-1,3-benzothiazole-5,6-diamine (CID 43450560) is 5-N-(2,5-dimethylphenyl)-2-methyl-1,3-benzothiazole-5,6-diamine.
What is the SMILES notation for 5-N-(2,5-dimethylphenyl)-2-methyl-1,3-benzothiazole-5,6-diamine?
The canonical SMILES for 5-N-(2,5-dimethylphenyl)-2-methyl-1,3-benzothiazole-5,6-diamine is Cc1ccc(C)c(Nc2cc3nc(C)sc3cc2N)c1.
What is the InChIKey of 5-N-(2,5-dimethylphenyl)-2-methyl-1,3-benzothiazole-5,6-diamine?
The InChIKey is ZMBCMGNXTGXMTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3S/c1-9-4-5-10(2)13(6-9)19-14-8-15-16(7-12(14)17)20-11(3)18-15/h4-8,19H,17H2,1-3H3.
What are the key properties of 5-N-(2,5-dimethylphenyl)-2-methyl-1,3-benzothiazole-5,6-diamine?
5-N-(2,5-dimethylphenyl)-2-methyl-1,3-benzothiazole-5,6-diamine has a molecular weight of 283.40 g/mol, XLogP of 4.55, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2,5-dimethylphenyl)-2-methyl-1,3-benzothiazole-5,6-diamine is sourced from PubChem (CID 43450560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).