N,5,7-trimethyl-N-phenyl-1,3-benzothiazol-2-amine

C16H16N2S — CID 43969171

IUPACN,5,7-trimethyl-N-phenyl-1,3-benzothiazol-2-amine
SMILESCc1cc(C)c2sc(N(C)c3ccccc3)nc2c1
InChIInChI=1S/C16H16N2S/c1-11-9-12(2)15-14(10-11)17-16(19-15)18(3)13-7-5-4-6-8-13/h4-10H,1-3H3
InChIKeyQPDXUHGHWVSYGZ-UHFFFAOYSA-N
MW268.38 g/mol
LogP4.68
Rot. Bonds2

About N,5,7-trimethyl-N-phenyl-1,3-benzothiazol-2-amine

N,5,7-trimethyl-N-phenyl-1,3-benzothiazol-2-amine (PubChem CID 43969171) has the molecular formula C16H16N2S and a molecular weight of 268.38 g/mol. Its IUPAC name is N,5,7-trimethyl-N-phenyl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN,5,7-trimethyl-N-phenyl-1,3-benzothiazol-2-amine
PubChem CID43969171
Molecular FormulaC16H16N2S
Molecular Weight268.38 g/mol
Exact Mass268.10
IUPAC NameN,5,7-trimethyl-N-phenyl-1,3-benzothiazol-2-amine
SMILESCc1cc(C)c2sc(N(C)c3ccccc3)nc2c1
InChIInChI=1S/C16H16N2S/c1-11-9-12(2)15-14(10-11)17-16(19-15)18(3)13-7-5-4-6-8-13/h4-10H,1-3H3
InChIKeyQPDXUHGHWVSYGZ-UHFFFAOYSA-N
XLogP4.68
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,5,7-trimethyl-N-phenyl-1,3-benzothiazol-2-amine?
The IUPAC name of N,5,7-trimethyl-N-phenyl-1,3-benzothiazol-2-amine (CID 43969171) is N,5,7-trimethyl-N-phenyl-1,3-benzothiazol-2-amine.
What is the SMILES notation for N,5,7-trimethyl-N-phenyl-1,3-benzothiazol-2-amine?
The canonical SMILES for N,5,7-trimethyl-N-phenyl-1,3-benzothiazol-2-amine is Cc1cc(C)c2sc(N(C)c3ccccc3)nc2c1.
What is the InChIKey of N,5,7-trimethyl-N-phenyl-1,3-benzothiazol-2-amine?
The InChIKey is QPDXUHGHWVSYGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2S/c1-11-9-12(2)15-14(10-11)17-16(19-15)18(3)13-7-5-4-6-8-13/h4-10H,1-3H3.
What are the key properties of N,5,7-trimethyl-N-phenyl-1,3-benzothiazol-2-amine?
N,5,7-trimethyl-N-phenyl-1,3-benzothiazol-2-amine has a molecular weight of 268.38 g/mol, XLogP of 4.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,5,7-trimethyl-N-phenyl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 43969171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).