2-[2-[(2-aminoacetyl)amino]ethyl]-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide

C19H20N4O2S — CID 134236054

IUPAC2-[2-[(2-aminoacetyl)amino]ethyl]-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
SMILESCc1ccc2nc(NC(=O)c3ccccc3CCNC(=O)CN)sc2c1
InChIInChI=1S/C19H20N4O2S/c1-12-6-7-15-16(10-12)26-19(22-15)23-18(25)14-5-3-2-4-13(14)8-9-21-17(24)11-20/h2-7,10H,8-9,11,20H2,1H3,(H,21,24)(H,22,23,25)
InChIKeyQGUVFLCGQSHOQF-UHFFFAOYSA-N
MW368.46 g/mol
LogP2.47
Rot. Bonds6

About 2-[2-[(2-aminoacetyl)amino]ethyl]-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide

2-[2-[(2-aminoacetyl)amino]ethyl]-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide (PubChem CID 134236054) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is 2-[2-[(2-aminoacetyl)amino]ethyl]-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-[2-[(2-aminoacetyl)amino]ethyl]-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
PubChem CID134236054
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC Name2-[2-[(2-aminoacetyl)amino]ethyl]-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
SMILESCc1ccc2nc(NC(=O)c3ccccc3CCNC(=O)CN)sc2c1
InChIInChI=1S/C19H20N4O2S/c1-12-6-7-15-16(10-12)26-19(22-15)23-18(25)14-5-3-2-4-13(14)8-9-21-17(24)11-20/h2-7,10H,8-9,11,20H2,1H3,(H,21,24)(H,22,23,25)
InChIKeyQGUVFLCGQSHOQF-UHFFFAOYSA-N
XLogP2.47
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[(2-aminoacetyl)amino]methyl]-4-methyl-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]benzamide
CID 122633267
2-ethylsulfonyl-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 7578603
2-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
CID 3809613
2-fluoro-4-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 79765196
N-(2-hydroxyethyl)-N'-(6-methyl-1,3-benzothiazol-2-yl)butanediamide
CID 2067233
N-(6-methyl-1,3-benzothiazol-2-yl)-3-phenylpropanamide
CID 682912
6-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-2-carboxamide
CID 31809959
2,5-dihydroxy-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 103687616
1-[2-(aminomethyl)phenyl]-2-(6-methyl-1,3-benzothiazol-2-yl)ethanone
CID 149165777
1-benzyl-3-(6-methyl-1,3-benzothiazol-2-yl)urea
CID 42733059
3-(1,3-benzothiazol-2-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide
CID 24535645
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(2-phenylethyl)benzamide
CID 19226196

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-aminoacetyl)amino]ethyl]-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of 2-[2-[(2-aminoacetyl)amino]ethyl]-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide (CID 134236054) is 2-[2-[(2-aminoacetyl)amino]ethyl]-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for 2-[2-[(2-aminoacetyl)amino]ethyl]-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for 2-[2-[(2-aminoacetyl)amino]ethyl]-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide is Cc1ccc2nc(NC(=O)c3ccccc3CCNC(=O)CN)sc2c1.
What is the InChIKey of 2-[2-[(2-aminoacetyl)amino]ethyl]-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is QGUVFLCGQSHOQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S/c1-12-6-7-15-16(10-12)26-19(22-15)23-18(25)14-5-3-2-4-13(14)8-9-21-17(24)11-20/h2-7,10H,8-9,11,20H2,1H3,(H,21,24)(H,22,23,25).
What are the key properties of 2-[2-[(2-aminoacetyl)amino]ethyl]-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide?
2-[2-[(2-aminoacetyl)amino]ethyl]-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 368.46 g/mol, XLogP of 2.47, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-aminoacetyl)amino]ethyl]-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 134236054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).