4-methoxy-N-methyl-N-phenyl-1,3-benzothiazol-2-amine

C15H14N2OS — CID 3240693

IUPAC4-methoxy-N-methyl-N-phenyl-1,3-benzothiazol-2-amine
SMILESCOc1cccc2sc(N(C)c3ccccc3)nc12
InChIInChI=1S/C15H14N2OS/c1-17(11-7-4-3-5-8-11)15-16-14-12(18-2)9-6-10-13(14)19-15/h3-10H,1-2H3
InChIKeyPQCZYLWTHDSHDF-UHFFFAOYSA-N
MW270.36 g/mol
LogP4.07
Rot. Bonds3

About 4-methoxy-N-methyl-N-phenyl-1,3-benzothiazol-2-amine

4-methoxy-N-methyl-N-phenyl-1,3-benzothiazol-2-amine (PubChem CID 3240693) has the molecular formula C15H14N2OS and a molecular weight of 270.36 g/mol. Its IUPAC name is 4-methoxy-N-methyl-N-phenyl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name4-methoxy-N-methyl-N-phenyl-1,3-benzothiazol-2-amine
PubChem CID3240693
Molecular FormulaC15H14N2OS
Molecular Weight270.36 g/mol
Exact Mass270.08
IUPAC Name4-methoxy-N-methyl-N-phenyl-1,3-benzothiazol-2-amine
SMILESCOc1cccc2sc(N(C)c3ccccc3)nc12
InChIInChI=1S/C15H14N2OS/c1-17(11-7-4-3-5-8-11)15-16-14-12(18-2)9-6-10-13(14)19-15/h3-10H,1-2H3
InChIKeyPQCZYLWTHDSHDF-UHFFFAOYSA-N
XLogP4.07
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Diamthazole
CID 8708
2-Amino-6-methoxybenzothiazole
CID 15630
Frentizole
CID 33334
N-(1-(4-(4-fluorophenoxy)butyl)-4-piperidinyl)-N-methyl-2-benzothiazolamine
CID 108043
4-Methoxy-2-aminobenzothiazole
CID 21622
Amino-6-ethoxybenzothiazole, 2-
CID 7192
1-(1,3-Benzothiazol-2-yl)-3-(4-methoxyphenyl)urea
CID 950701
N-(2-methoxyphenyl)-1,3-benzothiazol-2-amine
CID 234669
6-Phenoxybenzo[d]thiazol-2-amine
CID 2344996
N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 3511405
4-Ethoxy-2-hydrazino-1,3-benzothiazole
CID 2049835
1-(6-Methoxy-1,3-benzothiazol-2-yl)-3-(2-methoxyphenyl)urea
CID 8895574

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-methyl-N-phenyl-1,3-benzothiazol-2-amine?
The IUPAC name of 4-methoxy-N-methyl-N-phenyl-1,3-benzothiazol-2-amine (CID 3240693) is 4-methoxy-N-methyl-N-phenyl-1,3-benzothiazol-2-amine.
What is the SMILES notation for 4-methoxy-N-methyl-N-phenyl-1,3-benzothiazol-2-amine?
The canonical SMILES for 4-methoxy-N-methyl-N-phenyl-1,3-benzothiazol-2-amine is COc1cccc2sc(N(C)c3ccccc3)nc12.
What is the InChIKey of 4-methoxy-N-methyl-N-phenyl-1,3-benzothiazol-2-amine?
The InChIKey is PQCZYLWTHDSHDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS/c1-17(11-7-4-3-5-8-11)15-16-14-12(18-2)9-6-10-13(14)19-15/h3-10H,1-2H3.
What are the key properties of 4-methoxy-N-methyl-N-phenyl-1,3-benzothiazol-2-amine?
4-methoxy-N-methyl-N-phenyl-1,3-benzothiazol-2-amine has a molecular weight of 270.36 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-methyl-N-phenyl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 3240693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).