N-(3,4-difluorophenyl)-2-[(4,7-dimethyl-1,3-benzothiazol-2-yl)-methylamino]acetamide

C18H17F2N3OS — CID 90606048

IUPACN-(3,4-difluorophenyl)-2-[(4,7-dimethyl-1,3-benzothiazol-2-yl)-methylamino]acetamide
SMILESCc1ccc(C)c2sc(N(C)CC(=O)Nc3ccc(F)c(F)c3)nc12
InChIInChI=1S/C18H17F2N3OS/c1-10-4-5-11(2)17-16(10)22-18(25-17)23(3)9-15(24)21-12-6-7-13(19)14(20)8-12/h4-8H,9H2,1-3H3,(H,21,24)
InChIKeyHGJYUTVBLMDUED-UHFFFAOYSA-N
MW361.42 g/mol
LogP4.27
Rot. Bonds4

About N-(3,4-difluorophenyl)-2-[(4,7-dimethyl-1,3-benzothiazol-2-yl)-methylamino]acetamide

N-(3,4-difluorophenyl)-2-[(4,7-dimethyl-1,3-benzothiazol-2-yl)-methylamino]acetamide (PubChem CID 90606048) has the molecular formula C18H17F2N3OS and a molecular weight of 361.42 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2-[(4,7-dimethyl-1,3-benzothiazol-2-yl)-methylamino]acetamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2-[(4,7-dimethyl-1,3-benzothiazol-2-yl)-methylamino]acetamide
PubChem CID90606048
Molecular FormulaC18H17F2N3OS
Molecular Weight361.42 g/mol
Exact Mass361.11
IUPAC NameN-(3,4-difluorophenyl)-2-[(4,7-dimethyl-1,3-benzothiazol-2-yl)-methylamino]acetamide
SMILESCc1ccc(C)c2sc(N(C)CC(=O)Nc3ccc(F)c(F)c3)nc12
InChIInChI=1S/C18H17F2N3OS/c1-10-4-5-11(2)17-16(10)22-18(25-17)23(3)9-15(24)21-12-6-7-13(19)14(20)8-12/h4-8H,9H2,1-3H3,(H,21,24)
InChIKeyHGJYUTVBLMDUED-UHFFFAOYSA-N
XLogP4.27
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dimethylphenyl)-2-[(4-fluoro-1,3-benzothiazol-2-yl)-methylamino]acetamide
CID 90605846
butyl 4-[[2-[(4,7-dimethyl-1,3-benzothiazol-2-yl)-methylamino]acetyl]amino]benzoate
CID 90606035
N-cyclopropyl-2-[(4,7-dimethyl-1,3-benzothiazol-2-yl)-methylamino]acetamide
CID 90606084
2-[[2-(3,4-difluoroanilino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 8729092
N-(3,4-difluorophenyl)-2-[[2-(N,2,5-trimethylanilino)acetyl]amino]acetamide
CID 55863997
N-(3,4-difluorophenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide
CID 8964034
2-[[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-methylamino]acetic acid
CID 43442693
N,N'-bis(3,4-difluorophenyl)propanediamide
CID 108956967
N-(3-fluoro-4-methylphenyl)-2-[2-hydroxyethyl(methyl)amino]acetamide
CID 60683583
N-(3,4-difluorophenyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide
CID 2658802
N-(3,4-difluorophenyl)propanamide
CID 4285365
N,N'-bis(3,4-difluorophenyl)butanediamide
CID 896186

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2-[(4,7-dimethyl-1,3-benzothiazol-2-yl)-methylamino]acetamide?
The IUPAC name of N-(3,4-difluorophenyl)-2-[(4,7-dimethyl-1,3-benzothiazol-2-yl)-methylamino]acetamide (CID 90606048) is N-(3,4-difluorophenyl)-2-[(4,7-dimethyl-1,3-benzothiazol-2-yl)-methylamino]acetamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-2-[(4,7-dimethyl-1,3-benzothiazol-2-yl)-methylamino]acetamide?
The canonical SMILES for N-(3,4-difluorophenyl)-2-[(4,7-dimethyl-1,3-benzothiazol-2-yl)-methylamino]acetamide is Cc1ccc(C)c2sc(N(C)CC(=O)Nc3ccc(F)c(F)c3)nc12.
What is the InChIKey of N-(3,4-difluorophenyl)-2-[(4,7-dimethyl-1,3-benzothiazol-2-yl)-methylamino]acetamide?
The InChIKey is HGJYUTVBLMDUED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N3OS/c1-10-4-5-11(2)17-16(10)22-18(25-17)23(3)9-15(24)21-12-6-7-13(19)14(20)8-12/h4-8H,9H2,1-3H3,(H,21,24).
What are the key properties of N-(3,4-difluorophenyl)-2-[(4,7-dimethyl-1,3-benzothiazol-2-yl)-methylamino]acetamide?
N-(3,4-difluorophenyl)-2-[(4,7-dimethyl-1,3-benzothiazol-2-yl)-methylamino]acetamide has a molecular weight of 361.42 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-2-[(4,7-dimethyl-1,3-benzothiazol-2-yl)-methylamino]acetamide is sourced from PubChem (CID 90606048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).