N-(3,4-dimethylphenyl)-2-[(4-fluoro-1,3-benzothiazol-2-yl)-methylamino]acetamide

C18H18FN3OS — CID 90605846

IUPACN-(3,4-dimethylphenyl)-2-[(4-fluoro-1,3-benzothiazol-2-yl)-methylamino]acetamide
SMILESCc1ccc(NC(=O)CN(C)c2nc3c(F)cccc3s2)cc1C
InChIInChI=1S/C18H18FN3OS/c1-11-7-8-13(9-12(11)2)20-16(23)10-22(3)18-21-17-14(19)5-4-6-15(17)24-18/h4-9H,10H2,1-3H3,(H,20,23)
InChIKeyHXBXLDWHPNPVEW-UHFFFAOYSA-N
MW343.43 g/mol
LogP4.13
Rot. Bonds4

About N-(3,4-dimethylphenyl)-2-[(4-fluoro-1,3-benzothiazol-2-yl)-methylamino]acetamide

N-(3,4-dimethylphenyl)-2-[(4-fluoro-1,3-benzothiazol-2-yl)-methylamino]acetamide (PubChem CID 90605846) has the molecular formula C18H18FN3OS and a molecular weight of 343.43 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2-[(4-fluoro-1,3-benzothiazol-2-yl)-methylamino]acetamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2-[(4-fluoro-1,3-benzothiazol-2-yl)-methylamino]acetamide
PubChem CID90605846
Molecular FormulaC18H18FN3OS
Molecular Weight343.43 g/mol
Exact Mass343.12
IUPAC NameN-(3,4-dimethylphenyl)-2-[(4-fluoro-1,3-benzothiazol-2-yl)-methylamino]acetamide
SMILESCc1ccc(NC(=O)CN(C)c2nc3c(F)cccc3s2)cc1C
InChIInChI=1S/C18H18FN3OS/c1-11-7-8-13(9-12(11)2)20-16(23)10-22(3)18-21-17-14(19)5-4-6-15(17)24-18/h4-9H,10H2,1-3H3,(H,20,23)
InChIKeyHXBXLDWHPNPVEW-UHFFFAOYSA-N
XLogP4.13
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-fluoro-1,3-benzothiazol-2-yl)-methylamino]-N-(4-methylsulfonylphenyl)acetamide
CID 90605928
N-(2,5-dimethoxyphenyl)-2-[(4-fluoro-1,3-benzothiazol-2-yl)-methylamino]acetamide
CID 90605850
N-(3,4-difluorophenyl)-2-[(4,7-dimethyl-1,3-benzothiazol-2-yl)-methylamino]acetamide
CID 90606048
2-[(4-fluoro-1,3-benzothiazol-2-yl)-methylamino]-N-(2-phenylethyl)acetamide
CID 90605786
2-[(4-fluoro-1,3-benzothiazol-2-yl)-methylamino]-N-(3-methoxypropyl)acetamide
CID 90605768
2-[(4-fluoro-1,3-benzothiazol-2-yl)-methylamino]-N-methoxy-N-methylacetamide
CID 90605927
N-(1,3-benzodioxol-5-yl)-2-[(4-methoxy-1,3-benzothiazol-2-yl)-methylamino]acetamide
CID 56765770
2-[(4-fluoro-1,3-benzothiazol-2-yl)-methylamino]-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]acetamide
CID 90605719
N-[(2-chlorophenyl)methyl]-2-[(4-fluoro-1,3-benzothiazol-2-yl)-methylamino]acetamide
CID 90605775
2-[(4-fluoro-1,3-benzothiazol-2-yl)-methylamino]-N-(2-oxothiolan-3-yl)acetamide
CID 90605895
2-[(4-fluoro-1,3-benzothiazol-2-yl)-methylamino]-N-(oxolan-2-ylmethyl)acetamide
CID 90605772
2-(3,4-dimethylphenoxy)-N-(4-fluoro-1,3-benzothiazol-2-yl)acetamide
CID 53269358

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2-[(4-fluoro-1,3-benzothiazol-2-yl)-methylamino]acetamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2-[(4-fluoro-1,3-benzothiazol-2-yl)-methylamino]acetamide (CID 90605846) is N-(3,4-dimethylphenyl)-2-[(4-fluoro-1,3-benzothiazol-2-yl)-methylamino]acetamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2-[(4-fluoro-1,3-benzothiazol-2-yl)-methylamino]acetamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2-[(4-fluoro-1,3-benzothiazol-2-yl)-methylamino]acetamide is Cc1ccc(NC(=O)CN(C)c2nc3c(F)cccc3s2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-2-[(4-fluoro-1,3-benzothiazol-2-yl)-methylamino]acetamide?
The InChIKey is HXBXLDWHPNPVEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3OS/c1-11-7-8-13(9-12(11)2)20-16(23)10-22(3)18-21-17-14(19)5-4-6-15(17)24-18/h4-9H,10H2,1-3H3,(H,20,23).
What are the key properties of N-(3,4-dimethylphenyl)-2-[(4-fluoro-1,3-benzothiazol-2-yl)-methylamino]acetamide?
N-(3,4-dimethylphenyl)-2-[(4-fluoro-1,3-benzothiazol-2-yl)-methylamino]acetamide has a molecular weight of 343.43 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-2-[(4-fluoro-1,3-benzothiazol-2-yl)-methylamino]acetamide is sourced from PubChem (CID 90605846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).