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

C16H23N3O2S — CID 90605980

IUPAC2-[(4,7-dimethyl-1,3-benzothiazol-2-yl)-methylamino]-N-(1-methoxypropan-2-yl)acetamide
SMILESCOCC(C)NC(=O)CN(C)c1nc2c(C)ccc(C)c2s1
InChIInChI=1S/C16H23N3O2S/c1-10-6-7-11(2)15-14(10)18-16(22-15)19(4)8-13(20)17-12(3)9-21-5/h6-7,12H,8-9H2,1-5H3,(H,17,20)
InChIKeyCWZUZWMLBKXQEU-UHFFFAOYSA-N
MW321.45 g/mol
LogP2.50
Rot. Bonds6

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

2-[(4,7-dimethyl-1,3-benzothiazol-2-yl)-methylamino]-N-(1-methoxypropan-2-yl)acetamide (PubChem CID 90605980) has the molecular formula C16H23N3O2S and a molecular weight of 321.45 g/mol. Its IUPAC name is 2-[(4,7-dimethyl-1,3-benzothiazol-2-yl)-methylamino]-N-(1-methoxypropan-2-yl)acetamide.

Molecular Properties

Compound Name2-[(4,7-dimethyl-1,3-benzothiazol-2-yl)-methylamino]-N-(1-methoxypropan-2-yl)acetamide
PubChem CID90605980
Molecular FormulaC16H23N3O2S
Molecular Weight321.45 g/mol
Exact Mass321.15
IUPAC Name2-[(4,7-dimethyl-1,3-benzothiazol-2-yl)-methylamino]-N-(1-methoxypropan-2-yl)acetamide
SMILESCOCC(C)NC(=O)CN(C)c1nc2c(C)ccc(C)c2s1
InChIInChI=1S/C16H23N3O2S/c1-10-6-7-11(2)15-14(10)18-16(22-15)19(4)8-13(20)17-12(3)9-21-5/h6-7,12H,8-9H2,1-5H3,(H,17,20)
InChIKeyCWZUZWMLBKXQEU-UHFFFAOYSA-N
XLogP2.50
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-adamantyl)-2-[(4,7-dimethyl-1,3-benzothiazol-2-yl)-methylamino]acetamide
CID 90606101
N-(3,4-difluorophenyl)-2-[(4,7-dimethyl-1,3-benzothiazol-2-yl)-methylamino]acetamide
CID 90606048
butyl 4-[[2-[(4,7-dimethyl-1,3-benzothiazol-2-yl)-methylamino]acetyl]amino]benzoate
CID 90606035
N-(2,6-dimethylphenyl)-2-[[2-[[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethyl]-methylamino]acetamide
CID 40811799
N-[1-(4-methoxyphenyl)ethyl]-2-[[1-(4-methoxyphenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]-methylamino]acetamide
CID 53195673
methyl 2-[[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]-methylamino]benzoate
CID 60696764
2-[(4,7-dimethyl-1,3-benzothiazol-2-yl)-methylamino]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide
CID 90606078
2-[[1-(4-methoxyphenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]-methylamino]-N-(3-methylbutyl)acetamide
CID 53195652
2-[(4-methoxy-1,3-benzothiazol-2-yl)-methylamino]-N-(3-methylbutyl)acetamide
CID 90605563
2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]-N-[(2R)-1-methoxypropan-2-yl]acetamide
CID 92512484
N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-2-[methyl-[3-methyl-1-(3-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]amino]acetamide
CID 95112888
3-(3,4-dimethylphenoxy)-N-[(2R)-1-methoxypropan-2-yl]propanamide
CID 94821099

Frequently Asked Questions

What is the IUPAC name of 2-[(4,7-dimethyl-1,3-benzothiazol-2-yl)-methylamino]-N-(1-methoxypropan-2-yl)acetamide?
The IUPAC name of 2-[(4,7-dimethyl-1,3-benzothiazol-2-yl)-methylamino]-N-(1-methoxypropan-2-yl)acetamide (CID 90605980) is 2-[(4,7-dimethyl-1,3-benzothiazol-2-yl)-methylamino]-N-(1-methoxypropan-2-yl)acetamide.
What is the SMILES notation for 2-[(4,7-dimethyl-1,3-benzothiazol-2-yl)-methylamino]-N-(1-methoxypropan-2-yl)acetamide?
The canonical SMILES for 2-[(4,7-dimethyl-1,3-benzothiazol-2-yl)-methylamino]-N-(1-methoxypropan-2-yl)acetamide is COCC(C)NC(=O)CN(C)c1nc2c(C)ccc(C)c2s1.
What is the InChIKey of 2-[(4,7-dimethyl-1,3-benzothiazol-2-yl)-methylamino]-N-(1-methoxypropan-2-yl)acetamide?
The InChIKey is CWZUZWMLBKXQEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2S/c1-10-6-7-11(2)15-14(10)18-16(22-15)19(4)8-13(20)17-12(3)9-21-5/h6-7,12H,8-9H2,1-5H3,(H,17,20).
What are the key properties of 2-[(4,7-dimethyl-1,3-benzothiazol-2-yl)-methylamino]-N-(1-methoxypropan-2-yl)acetamide?
2-[(4,7-dimethyl-1,3-benzothiazol-2-yl)-methylamino]-N-(1-methoxypropan-2-yl)acetamide has a molecular weight of 321.45 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,7-dimethyl-1,3-benzothiazol-2-yl)-methylamino]-N-(1-methoxypropan-2-yl)acetamide is sourced from PubChem (CID 90605980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).