3-(5-methyl-1,3-benzothiazol-2-yl)naphthalen-2-amine

C18H14N2S — CID 43305013

IUPAC3-(5-methyl-1,3-benzothiazol-2-yl)naphthalen-2-amine
SMILESCc1ccc2sc(-c3cc4ccccc4cc3N)nc2c1
InChIInChI=1S/C18H14N2S/c1-11-6-7-17-16(8-11)20-18(21-17)14-9-12-4-2-3-5-13(12)10-15(14)19/h2-10H,19H2,1H3
InChIKeyFNNUQHRVHAUEGN-UHFFFAOYSA-N
MW290.39 g/mol
LogP5.01
Rot. Bonds1

About 3-(5-methyl-1,3-benzothiazol-2-yl)naphthalen-2-amine

3-(5-methyl-1,3-benzothiazol-2-yl)naphthalen-2-amine (PubChem CID 43305013) has the molecular formula C18H14N2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 3-(5-methyl-1,3-benzothiazol-2-yl)naphthalen-2-amine.

Molecular Properties

Compound Name3-(5-methyl-1,3-benzothiazol-2-yl)naphthalen-2-amine
PubChem CID43305013
Molecular FormulaC18H14N2S
Molecular Weight290.39 g/mol
Exact Mass290.09
IUPAC Name3-(5-methyl-1,3-benzothiazol-2-yl)naphthalen-2-amine
SMILESCc1ccc2sc(-c3cc4ccccc4cc3N)nc2c1
InChIInChI=1S/C18H14N2S/c1-11-6-7-17-16(8-11)20-18(21-17)14-9-12-4-2-3-5-13(12)10-15(14)19/h2-10H,19H2,1H3
InChIKeyFNNUQHRVHAUEGN-UHFFFAOYSA-N
XLogP5.01
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.39
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-2-(5-methyl-1,3-benzothiazol-2-yl)aniline
CID 43305050
2-(5-methyl-1,3-benzothiazol-2-yl)-5-(trifluoromethyl)aniline
CID 79530408
3,4-dimethyl-5-(5-methyl-1,3-benzothiazol-2-yl)aniline
CID 63021388
2-(2-bromophenyl)-5-methyl-1,3-benzothiazole
CID 174756621
4-methyl-2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]aniline
CID 43247361
5-(5-methyl-1,3-benzothiazol-2-yl)-1H-pyrazol-3-amine
CID 64526919
4-methyl-5-(5-methyl-1,3-benzothiazol-2-yl)thiophen-2-amine
CID 43305023
2-(2,5-dimethylphenyl)-1,3-benzothiazole
CID 14365937
4,5-dimethyl-3-(5-methyl-1,3-benzothiazol-2-yl)thiophen-2-amine
CID 43305024
3-methyl-4-(5-methyl-1,3-benzothiazol-2-yl)phenol
CID 136750938
2-(1,3-benzothiazol-2-yl)-5-methylbenzenethiol
CID 175383915
2-bromo-5-(5-methyl-1,3-benzothiazol-2-yl)aniline
CID 107813631

Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-1,3-benzothiazol-2-yl)naphthalen-2-amine?
The IUPAC name of 3-(5-methyl-1,3-benzothiazol-2-yl)naphthalen-2-amine (CID 43305013) is 3-(5-methyl-1,3-benzothiazol-2-yl)naphthalen-2-amine.
What is the SMILES notation for 3-(5-methyl-1,3-benzothiazol-2-yl)naphthalen-2-amine?
The canonical SMILES for 3-(5-methyl-1,3-benzothiazol-2-yl)naphthalen-2-amine is Cc1ccc2sc(-c3cc4ccccc4cc3N)nc2c1.
What is the InChIKey of 3-(5-methyl-1,3-benzothiazol-2-yl)naphthalen-2-amine?
The InChIKey is FNNUQHRVHAUEGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2S/c1-11-6-7-17-16(8-11)20-18(21-17)14-9-12-4-2-3-5-13(12)10-15(14)19/h2-10H,19H2,1H3.
What are the key properties of 3-(5-methyl-1,3-benzothiazol-2-yl)naphthalen-2-amine?
3-(5-methyl-1,3-benzothiazol-2-yl)naphthalen-2-amine has a molecular weight of 290.39 g/mol, XLogP of 5.01, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-1,3-benzothiazol-2-yl)naphthalen-2-amine is sourced from PubChem (CID 43305013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).