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

C18H18ClN3OS — CID 8803452

IUPAC2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-[(3-chlorophenyl)methyl]acetamide
SMILESCN(CC(=O)NCc1cccc(Cl)c1)Cc1nc2ccccc2s1
InChIInChI=1S/C18H18ClN3OS/c1-22(12-18-21-15-7-2-3-8-16(15)24-18)11-17(23)20-10-13-5-4-6-14(19)9-13/h2-9H,10-12H2,1H3,(H,20,23)
InChIKeyPOPMKLMSEQFWBL-UHFFFAOYSA-N
MW359.88 g/mol
LogP3.70
Rot. Bonds6

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

2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-[(3-chlorophenyl)methyl]acetamide (PubChem CID 8803452) has the molecular formula C18H18ClN3OS and a molecular weight of 359.88 g/mol. Its IUPAC name is 2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-[(3-chlorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-[(3-chlorophenyl)methyl]acetamide
PubChem CID8803452
Molecular FormulaC18H18ClN3OS
Molecular Weight359.88 g/mol
Exact Mass359.09
IUPAC Name2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-[(3-chlorophenyl)methyl]acetamide
SMILESCN(CC(=O)NCc1cccc(Cl)c1)Cc1nc2ccccc2s1
InChIInChI=1S/C18H18ClN3OS/c1-22(12-18-21-15-7-2-3-8-16(15)24-18)11-17(23)20-10-13-5-4-6-14(19)9-13/h2-9H,10-12H2,1H3,(H,20,23)
InChIKeyPOPMKLMSEQFWBL-UHFFFAOYSA-N
XLogP3.70
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.88
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-[1-(3-chlorophenyl)ethyl]acetamide
CID 18088614
methyl 4-[[[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]acetyl]amino]methyl]benzoate
CID 8801767
2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-prop-2-ynylacetamide
CID 26645461
N-[(3-chlorophenyl)methyl]-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]acetamide
CID 86855976
methyl N-[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]acetyl]carbamate
CID 8803258
2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 8801666
2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-[(4-chlorophenyl)methyl]-N-methylacetamide
CID 8802915
2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(3-bromophenyl)acetamide
CID 8801611
2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(4-ethylphenyl)acetamide
CID 8801536
4-[[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]acetyl]amino]-N,N-dimethylbenzamide
CID 8802932
N-benzyl-2-[(3,5-dichlorophenyl)methyl-methylamino]acetamide
CID 52683480
N-(1,3-benzothiazol-2-yl)-2-[(3-chlorophenyl)methyl-methylamino]-N-ethylacetamide
CID 26604586

Frequently Asked Questions

What is the IUPAC name of 2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-[(3-chlorophenyl)methyl]acetamide?
The IUPAC name of 2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-[(3-chlorophenyl)methyl]acetamide (CID 8803452) is 2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-[(3-chlorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-[(3-chlorophenyl)methyl]acetamide?
The canonical SMILES for 2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-[(3-chlorophenyl)methyl]acetamide is CN(CC(=O)NCc1cccc(Cl)c1)Cc1nc2ccccc2s1.
What is the InChIKey of 2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-[(3-chlorophenyl)methyl]acetamide?
The InChIKey is POPMKLMSEQFWBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3OS/c1-22(12-18-21-15-7-2-3-8-16(15)24-18)11-17(23)20-10-13-5-4-6-14(19)9-13/h2-9H,10-12H2,1H3,(H,20,23).
What are the key properties of 2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-[(3-chlorophenyl)methyl]acetamide?
2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-[(3-chlorophenyl)methyl]acetamide has a molecular weight of 359.88 g/mol, XLogP of 3.70, 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-[(3-chlorophenyl)methyl]acetamide is sourced from PubChem (CID 8803452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).