2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-[1-(3-chlorophenyl)ethyl]acetamide

C19H20ClN3OS — CID 18088614

IUPAC2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-[1-(3-chlorophenyl)ethyl]acetamide
SMILESCC(NC(=O)CN(C)Cc1nc2ccccc2s1)c1cccc(Cl)c1
InChIInChI=1S/C19H20ClN3OS/c1-13(14-6-5-7-15(20)10-14)21-18(24)11-23(2)12-19-22-16-8-3-4-9-17(16)25-19/h3-10,13H,11-12H2,1-2H3,(H,21,24)
InChIKeyTXUAPCXLHMZQNP-UHFFFAOYSA-N
MW373.91 g/mol
LogP4.26
Rot. Bonds6

About 2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-[1-(3-chlorophenyl)ethyl]acetamide

2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-[1-(3-chlorophenyl)ethyl]acetamide (PubChem CID 18088614) has the molecular formula C19H20ClN3OS and a molecular weight of 373.91 g/mol. Its IUPAC name is 2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-[1-(3-chlorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-[1-(3-chlorophenyl)ethyl]acetamide
PubChem CID18088614
Molecular FormulaC19H20ClN3OS
Molecular Weight373.91 g/mol
Exact Mass373.10
IUPAC Name2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-[1-(3-chlorophenyl)ethyl]acetamide
SMILESCC(NC(=O)CN(C)Cc1nc2ccccc2s1)c1cccc(Cl)c1
InChIInChI=1S/C19H20ClN3OS/c1-13(14-6-5-7-15(20)10-14)21-18(24)11-23(2)12-19-22-16-8-3-4-9-17(16)25-19/h3-10,13H,11-12H2,1-2H3,(H,21,24)
InChIKeyTXUAPCXLHMZQNP-UHFFFAOYSA-N
XLogP4.26
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.91
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]acetamide
CID 8803248
2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-[(3-chlorophenyl)methyl]acetamide
CID 8803452
2-[[2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide
CID 8913312
2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-prop-2-ynylacetamide
CID 26645461
2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-[(1S)-1-(3-chlorophenyl)ethyl]acetamide
CID 8767844
methyl N-[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]acetyl]carbamate
CID 8803258
2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(3-bromophenyl)acetamide
CID 8801611
4-[1,3-benzothiazol-2-ylmethyl(methyl)amino]butan-2-ol
CID 113246457
2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 18156008
2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 26372211
3-[1,3-benzothiazol-2-ylmethyl(methyl)amino]propanoic acid
CID 13285746
2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(4-phenylphenyl)acetamide
CID 8802128

Frequently Asked Questions

What is the IUPAC name of 2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-[1-(3-chlorophenyl)ethyl]acetamide?
The IUPAC name of 2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-[1-(3-chlorophenyl)ethyl]acetamide (CID 18088614) is 2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-[1-(3-chlorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-[1-(3-chlorophenyl)ethyl]acetamide?
The canonical SMILES for 2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-[1-(3-chlorophenyl)ethyl]acetamide is CC(NC(=O)CN(C)Cc1nc2ccccc2s1)c1cccc(Cl)c1.
What is the InChIKey of 2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-[1-(3-chlorophenyl)ethyl]acetamide?
The InChIKey is TXUAPCXLHMZQNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3OS/c1-13(14-6-5-7-15(20)10-14)21-18(24)11-23(2)12-19-22-16-8-3-4-9-17(16)25-19/h3-10,13H,11-12H2,1-2H3,(H,21,24).
What are the key properties of 2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-[1-(3-chlorophenyl)ethyl]acetamide?
2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-[1-(3-chlorophenyl)ethyl]acetamide has a molecular weight of 373.91 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-[1-(3-chlorophenyl)ethyl]acetamide is sourced from PubChem (CID 18088614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).