N-(1,3-benzothiazol-2-yl)-2-[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]acetamide

C16H19N5OS — CID 22196315

IUPACN-(1,3-benzothiazol-2-yl)-2-[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]acetamide
SMILESCc1nn(C)cc1CN(C)CC(=O)Nc1nc2ccccc2s1
InChIInChI=1S/C16H19N5OS/c1-11-12(9-21(3)19-11)8-20(2)10-15(22)18-16-17-13-6-4-5-7-14(13)23-16/h4-7,9H,8,10H2,1-3H3,(H,17,18,22)
InChIKeyISJZCLZCWHINHL-UHFFFAOYSA-N
MW329.43 g/mol
LogP2.41
Rot. Bonds5

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

N-(1,3-benzothiazol-2-yl)-2-[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]acetamide (PubChem CID 22196315) has the molecular formula C16H19N5OS and a molecular weight of 329.43 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-2-[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-2-[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]acetamide
PubChem CID22196315
Molecular FormulaC16H19N5OS
Molecular Weight329.43 g/mol
Exact Mass329.13
IUPAC NameN-(1,3-benzothiazol-2-yl)-2-[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]acetamide
SMILESCc1nn(C)cc1CN(C)CC(=O)Nc1nc2ccccc2s1
InChIInChI=1S/C16H19N5OS/c1-11-12(9-21(3)19-11)8-20(2)10-15(22)18-16-17-13-6-4-5-7-14(13)23-16/h4-7,9H,8,10H2,1-3H3,(H,17,18,22)
InChIKeyISJZCLZCWHINHL-UHFFFAOYSA-N
XLogP2.41
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]-N-phenylacetamide
CID 17378441
N-(1,3-benzothiazol-2-yl)-2-[(5-chlorothiophen-2-yl)methyl-methylamino]acetamide
CID 78821067
2-[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]-N-(4-methylphenyl)acetamide
CID 22196270
N-(4-acetylphenyl)-2-[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]acetamide
CID 22196298
N-(2,4-difluorophenyl)-2-[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]acetamide
CID 22196330
2-[benzenesulfonyl(methyl)amino]-N-(1,3-benzothiazol-2-yl)acetamide
CID 2219880
N-(1,3-benzothiazol-2-yl)-2-[bis(2-hydroxyethyl)amino]acetamide
CID 60686532
N-[2-(1,3-benzothiazol-2-yl)ethyl]-3-(1,3-dimethylpyrazol-4-yl)propanamide
CID 71983746
N-(1,3-benzothiazol-2-yl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetamide
CID 5302441
N-(1,3-benzothiazol-2-yl)-3-[butyl(methyl)amino]propanamide
CID 108806837
N-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]propanamide
CID 47412721
N-(1,3-benzothiazol-2-yl)-2-(tert-butylamino)acetamide
CID 47840976

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-2-[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]acetamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-2-[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]acetamide (CID 22196315) is N-(1,3-benzothiazol-2-yl)-2-[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]acetamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-2-[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]acetamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-2-[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]acetamide is Cc1nn(C)cc1CN(C)CC(=O)Nc1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-2-[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]acetamide?
The InChIKey is ISJZCLZCWHINHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5OS/c1-11-12(9-21(3)19-11)8-20(2)10-15(22)18-16-17-13-6-4-5-7-14(13)23-16/h4-7,9H,8,10H2,1-3H3,(H,17,18,22).
What are the key properties of N-(1,3-benzothiazol-2-yl)-2-[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]acetamide?
N-(1,3-benzothiazol-2-yl)-2-[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]acetamide has a molecular weight of 329.43 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-2-[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]acetamide is sourced from PubChem (CID 22196315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).