2-amino-3-[(6-methyl-1,3-benzothiazol-2-yl)amino]benzamide

C15H14N4OS — CID 115544304

IUPAC2-amino-3-[(6-methyl-1,3-benzothiazol-2-yl)amino]benzamide
SMILESCc1ccc2nc(Nc3cccc(C(N)=O)c3N)sc2c1
InChIInChI=1S/C15H14N4OS/c1-8-5-6-10-12(7-8)21-15(18-10)19-11-4-2-3-9(13(11)16)14(17)20/h2-7H,16H2,1H3,(H2,17,20)(H,18,19)
InChIKeyHOPXXHDFMBLNQN-UHFFFAOYSA-N
MW298.37 g/mol
LogP3.03
Rot. Bonds3

About 2-amino-3-[(6-methyl-1,3-benzothiazol-2-yl)amino]benzamide

2-amino-3-[(6-methyl-1,3-benzothiazol-2-yl)amino]benzamide (PubChem CID 115544304) has the molecular formula C15H14N4OS and a molecular weight of 298.37 g/mol. Its IUPAC name is 2-amino-3-[(6-methyl-1,3-benzothiazol-2-yl)amino]benzamide.

Molecular Properties

Compound Name2-amino-3-[(6-methyl-1,3-benzothiazol-2-yl)amino]benzamide
PubChem CID115544304
Molecular FormulaC15H14N4OS
Molecular Weight298.37 g/mol
Exact Mass298.09
IUPAC Name2-amino-3-[(6-methyl-1,3-benzothiazol-2-yl)amino]benzamide
SMILESCc1ccc2nc(Nc3cccc(C(N)=O)c3N)sc2c1
InChIInChI=1S/C15H14N4OS/c1-8-5-6-10-12(7-8)21-15(18-10)19-11-4-2-3-9(13(11)16)14(17)20/h2-7H,16H2,1H3,(H2,17,20)(H,18,19)
InChIKeyHOPXXHDFMBLNQN-UHFFFAOYSA-N
XLogP3.03
TPSA94.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-6-[(6-methyl-1,3-benzothiazol-2-yl)amino]benzenecarbothioamide
CID 62501593
3-methyl-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]benzenecarbothioamide
CID 107107696
6-methyl-N-(4-methylphenyl)-1,3-benzothiazol-2-amine
CID 12955114
2-[(6-chloro-1,3-benzothiazol-2-yl)amino]-4-methylbenzenecarbothioamide
CID 63515168
N'-[5-amino-6-[(6-methyl-1,3-benzothiazol-2-yl)amino]pyrimidin-4-yl]-2-chlorobenzohydrazide
CID 19150088
2-amino-3-[(2,6-dimethyl-3-pyridinyl)amino]benzamide
CID 115546575
N-(2-chloro-5-methylphenyl)-6-methyl-1,3-benzothiazol-2-amine
CID 107637469
2-methyl-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]propanamide
CID 79142506
1-(3-aminophenyl)-3-(6-methyl-1,3-benzothiazol-2-yl)urea
CID 29277539
4-N-(6-methyl-1,3-benzothiazol-2-yl)-6-N-quinolin-8-ylpyrimidine-4,5,6-triamine
CID 19144764
6-methyl-N-(2,4,5-trichlorophenyl)-1,3-benzothiazol-2-amine
CID 78908955
2-methyl-6-[(6-methyl-1,3-benzothiazol-2-yl)amino]pyridine-4-carbothioamide
CID 114767063

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[(6-methyl-1,3-benzothiazol-2-yl)amino]benzamide?
The IUPAC name of 2-amino-3-[(6-methyl-1,3-benzothiazol-2-yl)amino]benzamide (CID 115544304) is 2-amino-3-[(6-methyl-1,3-benzothiazol-2-yl)amino]benzamide.
What is the SMILES notation for 2-amino-3-[(6-methyl-1,3-benzothiazol-2-yl)amino]benzamide?
The canonical SMILES for 2-amino-3-[(6-methyl-1,3-benzothiazol-2-yl)amino]benzamide is Cc1ccc2nc(Nc3cccc(C(N)=O)c3N)sc2c1.
What is the InChIKey of 2-amino-3-[(6-methyl-1,3-benzothiazol-2-yl)amino]benzamide?
The InChIKey is HOPXXHDFMBLNQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4OS/c1-8-5-6-10-12(7-8)21-15(18-10)19-11-4-2-3-9(13(11)16)14(17)20/h2-7H,16H2,1H3,(H2,17,20)(H,18,19).
What are the key properties of 2-amino-3-[(6-methyl-1,3-benzothiazol-2-yl)amino]benzamide?
2-amino-3-[(6-methyl-1,3-benzothiazol-2-yl)amino]benzamide has a molecular weight of 298.37 g/mol, XLogP of 3.03, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[(6-methyl-1,3-benzothiazol-2-yl)amino]benzamide is sourced from PubChem (CID 115544304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).