2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-benzyl-N-propan-2-ylacetamide

C21H25N3OS — CID 34758404

IUPAC2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-benzyl-N-propan-2-ylacetamide
SMILESCC(C)N(Cc1ccccc1)C(=O)CN(C)Cc1nc2ccccc2s1
InChIInChI=1S/C21H25N3OS/c1-16(2)24(13-17-9-5-4-6-10-17)21(25)15-23(3)14-20-22-18-11-7-8-12-19(18)26-20/h4-12,16H,13-15H2,1-3H3
InChIKeyBRDRHWRJZNVPOB-UHFFFAOYSA-N
MW367.52 g/mol
LogP4.17
Rot. Bonds7

About 2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-benzyl-N-propan-2-ylacetamide

2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-benzyl-N-propan-2-ylacetamide (PubChem CID 34758404) has the molecular formula C21H25N3OS and a molecular weight of 367.52 g/mol. Its IUPAC name is 2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-benzyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-benzyl-N-propan-2-ylacetamide
PubChem CID34758404
Molecular FormulaC21H25N3OS
Molecular Weight367.52 g/mol
Exact Mass367.17
IUPAC Name2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-benzyl-N-propan-2-ylacetamide
SMILESCC(C)N(Cc1ccccc1)C(=O)CN(C)Cc1nc2ccccc2s1
InChIInChI=1S/C21H25N3OS/c1-16(2)24(13-17-9-5-4-6-10-17)21(25)15-23(3)14-20-22-18-11-7-8-12-19(18)26-20/h4-12,16H,13-15H2,1-3H3
InChIKeyBRDRHWRJZNVPOB-UHFFFAOYSA-N
XLogP4.17
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.52
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-[(4-chlorophenyl)methyl]-N-methylacetamide
CID 8802915
3-[1,3-benzothiazol-2-ylmethyl(methyl)amino]propanoic acid
CID 13285746
2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide
CID 35881093
N-(1,3-benzothiazol-2-yl)-2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-ethylacetamide
CID 17488385
methyl N-[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]acetyl]carbamate
CID 8803258
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-[(3R)-1,1-dioxothiolan-3-yl]-N-phenylacetamide
CID 40882726
2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-[(3S)-1,1-dioxothiolan-3-yl]-N-phenylacetamide
CID 40882731
(2S)-2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N,N-dimethyl-2-phenylacetamide
CID 8803612
2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(4-phenylphenyl)acetamide
CID 8802128
2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(butylcarbamoyl)acetamide
CID 8803932

Frequently Asked Questions

What is the IUPAC name of 2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-benzyl-N-propan-2-ylacetamide?
The IUPAC name of 2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-benzyl-N-propan-2-ylacetamide (CID 34758404) is 2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-benzyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-benzyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-benzyl-N-propan-2-ylacetamide is CC(C)N(Cc1ccccc1)C(=O)CN(C)Cc1nc2ccccc2s1.
What is the InChIKey of 2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-benzyl-N-propan-2-ylacetamide?
The InChIKey is BRDRHWRJZNVPOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3OS/c1-16(2)24(13-17-9-5-4-6-10-17)21(25)15-23(3)14-20-22-18-11-7-8-12-19(18)26-20/h4-12,16H,13-15H2,1-3H3.
What are the key properties of 2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-benzyl-N-propan-2-ylacetamide?
2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-benzyl-N-propan-2-ylacetamide has a molecular weight of 367.52 g/mol, XLogP of 4.17, 7 rotatable bonds, 0 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-benzyl-N-propan-2-ylacetamide is sourced from PubChem (CID 34758404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).