6-[3-(methylamino)phenyl]-1,3-benzothiazol-2-amine

C14H13N3S — CID 116994111

IUPAC6-[3-(methylamino)phenyl]-1,3-benzothiazol-2-amine
SMILESCNc1cccc(-c2ccc3nc(N)sc3c2)c1
InChIInChI=1S/C14H13N3S/c1-16-11-4-2-3-9(7-11)10-5-6-12-13(8-10)18-14(15)17-12/h2-8,16H,1H3,(H2,15,17)
InChIKeyMFKNAGAZSXOYIZ-UHFFFAOYSA-N
MW255.35 g/mol
LogP3.59
Rot. Bonds2

About 6-[3-(methylamino)phenyl]-1,3-benzothiazol-2-amine

6-[3-(methylamino)phenyl]-1,3-benzothiazol-2-amine (PubChem CID 116994111) has the molecular formula C14H13N3S and a molecular weight of 255.35 g/mol. Its IUPAC name is 6-[3-(methylamino)phenyl]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-[3-(methylamino)phenyl]-1,3-benzothiazol-2-amine
PubChem CID116994111
Molecular FormulaC14H13N3S
Molecular Weight255.35 g/mol
Exact Mass255.08
IUPAC Name6-[3-(methylamino)phenyl]-1,3-benzothiazol-2-amine
SMILESCNc1cccc(-c2ccc3nc(N)sc3c2)c1
InChIInChI=1S/C14H13N3S/c1-16-11-4-2-3-9(7-11)10-5-6-12-13(8-10)18-14(15)17-12/h2-8,16H,1H3,(H2,15,17)
InChIKeyMFKNAGAZSXOYIZ-UHFFFAOYSA-N
XLogP3.59
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.35
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-methylphenyl)-1,3-benzothiazol-2-amine
CID 143885488
6-pyrimidin-2-yl-1,3-benzothiazol-2-amine
CID 122184482
6-N-phenyl-1,3-benzothiazole-2,6-diamine
CID 21455645
6-hydrazinyl-1,3-benzothiazol-2-amine
CID 116994182
6-N,6-N-dimethyl-1,3-benzothiazole-2,6-diamine
CID 17244961
6-(6-methylpyridazin-3-yl)-1,3-benzothiazol-2-amine
CID 170567486
6-(1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine
CID 119087949
6-[6-[ethyl(methyl)amino]-3-pyridinyl]-1,3-benzothiazol-2-amine
CID 122184471
6-(1H-benzo[f]benzimidazol-2-yl)-1,3-benzothiazol-2-amine
CID 17336802
6-(4-amino-1H-pyrazol-5-yl)-1,3-benzothiazol-2-amine
CID 174825755
4-[6-(1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-yl]-2-(125I)iodo(125I)aniline;4-[6-(1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-yl]-N-(111C)methylaniline
CID 158607429
N-(2-amino-1,3-benzothiazol-6-yl)-3-methylbenzamide
CID 50882009

Frequently Asked Questions

What is the IUPAC name of 6-[3-(methylamino)phenyl]-1,3-benzothiazol-2-amine?
The IUPAC name of 6-[3-(methylamino)phenyl]-1,3-benzothiazol-2-amine (CID 116994111) is 6-[3-(methylamino)phenyl]-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-[3-(methylamino)phenyl]-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-[3-(methylamino)phenyl]-1,3-benzothiazol-2-amine is CNc1cccc(-c2ccc3nc(N)sc3c2)c1.
What is the InChIKey of 6-[3-(methylamino)phenyl]-1,3-benzothiazol-2-amine?
The InChIKey is MFKNAGAZSXOYIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3S/c1-16-11-4-2-3-9(7-11)10-5-6-12-13(8-10)18-14(15)17-12/h2-8,16H,1H3,(H2,15,17).
What are the key properties of 6-[3-(methylamino)phenyl]-1,3-benzothiazol-2-amine?
6-[3-(methylamino)phenyl]-1,3-benzothiazol-2-amine has a molecular weight of 255.35 g/mol, XLogP of 3.59, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(methylamino)phenyl]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 116994111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).