N-[4-(1,3-benzothiazol-2-yl)phenyl]-N-methylnaphthalen-1-amine

C24H18N2S — CID 59465011

IUPACN-[4-(1,3-benzothiazol-2-yl)phenyl]-N-methylnaphthalen-1-amine
SMILESCN(c1ccc(-c2nc3ccccc3s2)cc1)c1cccc2ccccc12
InChIInChI=1S/C24H18N2S/c1-26(22-11-6-8-17-7-2-3-9-20(17)22)19-15-13-18(14-16-19)24-25-21-10-4-5-12-23(21)27-24/h2-16H,1H3
InChIKeyYPSXPEXFJPCCHQ-UHFFFAOYSA-N
MW366.49 g/mol
LogP6.88
Rot. Bonds3

About N-[4-(1,3-benzothiazol-2-yl)phenyl]-N-methylnaphthalen-1-amine

N-[4-(1,3-benzothiazol-2-yl)phenyl]-N-methylnaphthalen-1-amine (PubChem CID 59465011) has the molecular formula C24H18N2S and a molecular weight of 366.49 g/mol. Its IUPAC name is N-[4-(1,3-benzothiazol-2-yl)phenyl]-N-methylnaphthalen-1-amine.

Molecular Properties

Compound NameN-[4-(1,3-benzothiazol-2-yl)phenyl]-N-methylnaphthalen-1-amine
PubChem CID59465011
Molecular FormulaC24H18N2S
Molecular Weight366.49 g/mol
Exact Mass366.12
IUPAC NameN-[4-(1,3-benzothiazol-2-yl)phenyl]-N-methylnaphthalen-1-amine
SMILESCN(c1ccc(-c2nc3ccccc3s2)cc1)c1cccc2ccccc12
InChIInChI=1S/C24H18N2S/c1-26(22-11-6-8-17-7-2-3-9-20(17)22)19-15-13-18(14-16-19)24-25-21-10-4-5-12-23(21)27-24/h2-16H,1H3
InChIKeyYPSXPEXFJPCCHQ-UHFFFAOYSA-N
XLogP6.88
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.49
LogP ≤ 56.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-benzothiazol-2-yl)phenyl]-N-methylnaphthalen-1-amine?
The IUPAC name of N-[4-(1,3-benzothiazol-2-yl)phenyl]-N-methylnaphthalen-1-amine (CID 59465011) is N-[4-(1,3-benzothiazol-2-yl)phenyl]-N-methylnaphthalen-1-amine.
What is the SMILES notation for N-[4-(1,3-benzothiazol-2-yl)phenyl]-N-methylnaphthalen-1-amine?
The canonical SMILES for N-[4-(1,3-benzothiazol-2-yl)phenyl]-N-methylnaphthalen-1-amine is CN(c1ccc(-c2nc3ccccc3s2)cc1)c1cccc2ccccc12.
What is the InChIKey of N-[4-(1,3-benzothiazol-2-yl)phenyl]-N-methylnaphthalen-1-amine?
The InChIKey is YPSXPEXFJPCCHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2S/c1-26(22-11-6-8-17-7-2-3-9-20(17)22)19-15-13-18(14-16-19)24-25-21-10-4-5-12-23(21)27-24/h2-16H,1H3.
What are the key properties of N-[4-(1,3-benzothiazol-2-yl)phenyl]-N-methylnaphthalen-1-amine?
N-[4-(1,3-benzothiazol-2-yl)phenyl]-N-methylnaphthalen-1-amine has a molecular weight of 366.49 g/mol, XLogP of 6.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-benzothiazol-2-yl)phenyl]-N-methylnaphthalen-1-amine is sourced from PubChem (CID 59465011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).