N-(3-methylphenyl)-6-methylsulfanyl-1,3-benzothiazol-2-amine

C15H14N2S2 — CID 7489935

IUPACN-(3-methylphenyl)-6-methylsulfanyl-1,3-benzothiazol-2-amine
SMILESCSc1ccc2nc(Nc3cccc(C)c3)sc2c1
InChIInChI=1S/C15H14N2S2/c1-10-4-3-5-11(8-10)16-15-17-13-7-6-12(18-2)9-14(13)19-15/h3-9H,1-2H3,(H,16,17)
InChIKeyZFKDGVLQQYHGIP-UHFFFAOYSA-N
MW286.43 g/mol
LogP5.07
Rot. Bonds3

About N-(3-methylphenyl)-6-methylsulfanyl-1,3-benzothiazol-2-amine

N-(3-methylphenyl)-6-methylsulfanyl-1,3-benzothiazol-2-amine (PubChem CID 7489935) has the molecular formula C15H14N2S2 and a molecular weight of 286.43 g/mol. Its IUPAC name is N-(3-methylphenyl)-6-methylsulfanyl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-(3-methylphenyl)-6-methylsulfanyl-1,3-benzothiazol-2-amine
PubChem CID7489935
Molecular FormulaC15H14N2S2
Molecular Weight286.43 g/mol
Exact Mass286.06
IUPAC NameN-(3-methylphenyl)-6-methylsulfanyl-1,3-benzothiazol-2-amine
SMILESCSc1ccc2nc(Nc3cccc(C)c3)sc2c1
InChIInChI=1S/C15H14N2S2/c1-10-4-3-5-11(8-10)16-15-17-13-7-6-12(18-2)9-14(13)19-15/h3-9H,1-2H3,(H,16,17)
InChIKeyZFKDGVLQQYHGIP-UHFFFAOYSA-N
XLogP5.07
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.43
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-bromo-N-(3-methylsulfanylphenyl)-1,3-benzothiazol-2-amine
CID 79534156
6-methoxy-N-(3-methylsulfanylphenyl)-1,3-benzothiazol-2-amine
CID 53414965
N-(3,5-dichlorophenyl)-6-methylsulfanyl-1,3-benzothiazol-2-amine
CID 43969068
6-methylsulfanyl-N-(4-nitrophenyl)-1,3-benzothiazol-2-amine
CID 7489954
6-methyl-N-(4-methylphenyl)-1,3-benzothiazol-2-amine
CID 12955114
4-N-(6-methoxy-1,3-benzothiazol-2-yl)-6-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
CID 19148258
N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]-6-methylsulfanyl-1,3-benzothiazol-2-amine
CID 7513116
6-fluoro-N-(3-fluoro-5-methylphenyl)-1,3-benzothiazol-2-amine
CID 79143900
7-chloro-N-(3-methylsulfanylphenyl)-1,3-benzothiazol-2-amine
CID 43306507
4-bromo-N-(3-methylsulfanylphenyl)-1,3-thiazol-2-amine
CID 79399128
2-(2,4-dimethylphenyl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)acetamide
CID 7615157
N-(3,4-dimethoxyphenyl)-6-methyl-1,3-benzothiazol-2-amine
CID 79128816

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-6-methylsulfanyl-1,3-benzothiazol-2-amine?
The IUPAC name of N-(3-methylphenyl)-6-methylsulfanyl-1,3-benzothiazol-2-amine (CID 7489935) is N-(3-methylphenyl)-6-methylsulfanyl-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-(3-methylphenyl)-6-methylsulfanyl-1,3-benzothiazol-2-amine?
The canonical SMILES for N-(3-methylphenyl)-6-methylsulfanyl-1,3-benzothiazol-2-amine is CSc1ccc2nc(Nc3cccc(C)c3)sc2c1.
What is the InChIKey of N-(3-methylphenyl)-6-methylsulfanyl-1,3-benzothiazol-2-amine?
The InChIKey is ZFKDGVLQQYHGIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2S2/c1-10-4-3-5-11(8-10)16-15-17-13-7-6-12(18-2)9-14(13)19-15/h3-9H,1-2H3,(H,16,17).
What are the key properties of N-(3-methylphenyl)-6-methylsulfanyl-1,3-benzothiazol-2-amine?
N-(3-methylphenyl)-6-methylsulfanyl-1,3-benzothiazol-2-amine has a molecular weight of 286.43 g/mol, XLogP of 5.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-6-methylsulfanyl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 7489935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).