N-(1-benzofuran-2-yl)-4-methyl-1,3-benzothiazol-2-amine

C16H12N2OS — CID 141408571

IUPACN-(1-benzofuran-2-yl)-4-methyl-1,3-benzothiazol-2-amine
SMILESCc1cccc2sc(Nc3cc4ccccc4o3)nc12
InChIInChI=1S/C16H12N2OS/c1-10-5-4-8-13-15(10)18-16(20-13)17-14-9-11-6-2-3-7-12(11)19-14/h2-9H,1H3,(H,17,18)
InChIKeyBKWRGIBKHPSADY-UHFFFAOYSA-N
MW280.35 g/mol
LogP5.09
Rot. Bonds2

About N-(1-benzofuran-2-yl)-4-methyl-1,3-benzothiazol-2-amine

N-(1-benzofuran-2-yl)-4-methyl-1,3-benzothiazol-2-amine (PubChem CID 141408571) has the molecular formula C16H12N2OS and a molecular weight of 280.35 g/mol. Its IUPAC name is N-(1-benzofuran-2-yl)-4-methyl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-(1-benzofuran-2-yl)-4-methyl-1,3-benzothiazol-2-amine
PubChem CID141408571
Molecular FormulaC16H12N2OS
Molecular Weight280.35 g/mol
Exact Mass280.07
IUPAC NameN-(1-benzofuran-2-yl)-4-methyl-1,3-benzothiazol-2-amine
SMILESCc1cccc2sc(Nc3cc4ccccc4o3)nc12
InChIInChI=1S/C16H12N2OS/c1-10-5-4-8-13-15(10)18-16(20-13)17-14-9-11-6-2-3-7-12(11)19-14/h2-9H,1H3,(H,17,18)
InChIKeyBKWRGIBKHPSADY-UHFFFAOYSA-N
XLogP5.09
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.35
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,6-dibromo-4-methylphenyl)-4-methyl-1,3-benzothiazol-2-amine
CID 79146492
4-methyl-N-(2,4,6-trichlorophenyl)-1,3-benzothiazol-2-amine
CID 79146236
N-(4-fluorophenyl)-4-methyl-1,3-benzothiazol-2-amine
CID 78908944
N-(2-chloro-4-iodophenyl)-4-methyl-1,3-benzothiazol-2-amine
CID 107607244
N-(2-ethyl-6-methylphenyl)-4-methyl-1,3-benzothiazol-2-amine
CID 79147272
4-methyl-N-[2-(trifluoromethyl)phenyl]-1,3-benzothiazol-2-amine
CID 78908729
N-[3-[(4-methyl-1,3-benzothiazol-2-yl)amino]phenyl]acetamide
CID 79129777
N-(5-bromo-2-fluorophenyl)-4-methyl-1,3-benzothiazol-2-amine
CID 79146772
4,6-dimethoxy-N-(4-methyl-1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-amine
CID 157119634
4-N-(4-methyl-1,3-benzothiazol-2-yl)-6-N-(2-methylphenyl)pyrimidine-4,5,6-triamine
CID 19147799
4-methyl-N-(3-methyl-2-propan-2-ylbutyl)-1,3-benzothiazol-2-amine
CID 102906850
6-N-(4-methyl-1,3-benzothiazol-2-yl)-4-N-propan-2-ylpyrimidine-4,5,6-triamine
CID 19135651

Frequently Asked Questions

What is the IUPAC name of N-(1-benzofuran-2-yl)-4-methyl-1,3-benzothiazol-2-amine?
The IUPAC name of N-(1-benzofuran-2-yl)-4-methyl-1,3-benzothiazol-2-amine (CID 141408571) is N-(1-benzofuran-2-yl)-4-methyl-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-(1-benzofuran-2-yl)-4-methyl-1,3-benzothiazol-2-amine?
The canonical SMILES for N-(1-benzofuran-2-yl)-4-methyl-1,3-benzothiazol-2-amine is Cc1cccc2sc(Nc3cc4ccccc4o3)nc12.
What is the InChIKey of N-(1-benzofuran-2-yl)-4-methyl-1,3-benzothiazol-2-amine?
The InChIKey is BKWRGIBKHPSADY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2OS/c1-10-5-4-8-13-15(10)18-16(20-13)17-14-9-11-6-2-3-7-12(11)19-14/h2-9H,1H3,(H,17,18).
What are the key properties of N-(1-benzofuran-2-yl)-4-methyl-1,3-benzothiazol-2-amine?
N-(1-benzofuran-2-yl)-4-methyl-1,3-benzothiazol-2-amine has a molecular weight of 280.35 g/mol, XLogP of 5.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzofuran-2-yl)-4-methyl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 141408571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).