N-[3-[(4-methyl-1,3-benzothiazol-2-yl)amino]phenyl]acetamide

C16H15N3OS — CID 79129777

IUPACN-[3-[(4-methyl-1,3-benzothiazol-2-yl)amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Nc2nc3c(C)cccc3s2)c1
InChIInChI=1S/C16H15N3OS/c1-10-5-3-8-14-15(10)19-16(21-14)18-13-7-4-6-12(9-13)17-11(2)20/h3-9H,1-2H3,(H,17,20)(H,18,19)
InChIKeyNJPFUKIRCAGIAK-UHFFFAOYSA-N
MW297.38 g/mol
LogP4.31
Rot. Bonds3

About N-[3-[(4-methyl-1,3-benzothiazol-2-yl)amino]phenyl]acetamide

N-[3-[(4-methyl-1,3-benzothiazol-2-yl)amino]phenyl]acetamide (PubChem CID 79129777) has the molecular formula C16H15N3OS and a molecular weight of 297.38 g/mol. Its IUPAC name is N-[3-[(4-methyl-1,3-benzothiazol-2-yl)amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(4-methyl-1,3-benzothiazol-2-yl)amino]phenyl]acetamide
PubChem CID79129777
Molecular FormulaC16H15N3OS
Molecular Weight297.38 g/mol
Exact Mass297.09
IUPAC NameN-[3-[(4-methyl-1,3-benzothiazol-2-yl)amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Nc2nc3c(C)cccc3s2)c1
InChIInChI=1S/C16H15N3OS/c1-10-5-3-8-14-15(10)19-16(21-14)18-13-7-4-6-12(9-13)17-11(2)20/h3-9H,1-2H3,(H,17,20)(H,18,19)
InChIKeyNJPFUKIRCAGIAK-UHFFFAOYSA-N
XLogP4.31
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-acetamido-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 974126
N-(4-fluorophenyl)-4-methyl-1,3-benzothiazol-2-amine
CID 78908944
N-[3-[[6-(2,6-dimethylanilino)-2-methylpyrimidin-4-yl]amino]phenyl]acetamide
CID 112877486
N-[2-[(4-methyl-1,3-benzothiazol-2-yl)amino]ethyl]acetamide
CID 79146680
2,2,2-trifluoro-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide
CID 34555190
N-(2,6-dibromo-4-methylphenyl)-4-methyl-1,3-benzothiazol-2-amine
CID 79146492
(E)-N-(4-methyl-1,3-benzothiazol-2-yl)but-2-enamide
CID 110459733
cyclopropyl-[4-[4-[(4-methyl-1,3-benzothiazol-2-yl)amino]phenyl]phenyl]methanone
CID 87369727
2-methyl-1-(4-methyl-1,3-benzothiazol-2-yl)guanidine
CID 45077657
3-chloro-N-(4-methyl-1,3-benzothiazol-2-yl)propanamide
CID 12646557
2-hydroxy-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 18126545
(2R)-N-(4-methyl-1,3-benzothiazol-2-yl)-2-(4-methylphenoxy)propanamide
CID 837350

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-methyl-1,3-benzothiazol-2-yl)amino]phenyl]acetamide?
The IUPAC name of N-[3-[(4-methyl-1,3-benzothiazol-2-yl)amino]phenyl]acetamide (CID 79129777) is N-[3-[(4-methyl-1,3-benzothiazol-2-yl)amino]phenyl]acetamide.
What is the SMILES notation for N-[3-[(4-methyl-1,3-benzothiazol-2-yl)amino]phenyl]acetamide?
The canonical SMILES for N-[3-[(4-methyl-1,3-benzothiazol-2-yl)amino]phenyl]acetamide is CC(=O)Nc1cccc(Nc2nc3c(C)cccc3s2)c1.
What is the InChIKey of N-[3-[(4-methyl-1,3-benzothiazol-2-yl)amino]phenyl]acetamide?
The InChIKey is NJPFUKIRCAGIAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3OS/c1-10-5-3-8-14-15(10)19-16(21-14)18-13-7-4-6-12(9-13)17-11(2)20/h3-9H,1-2H3,(H,17,20)(H,18,19).
What are the key properties of N-[3-[(4-methyl-1,3-benzothiazol-2-yl)amino]phenyl]acetamide?
N-[3-[(4-methyl-1,3-benzothiazol-2-yl)amino]phenyl]acetamide has a molecular weight of 297.38 g/mol, XLogP of 4.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-methyl-1,3-benzothiazol-2-yl)amino]phenyl]acetamide is sourced from PubChem (CID 79129777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).