N-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)benzo[g][1,3]benzothiazole-5-carboxamide

C23H23N3O2S — CID 11774109

IUPACN-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)benzo[g][1,3]benzothiazole-5-carboxamide
SMILESCOc1ccc(-c2nc3cc(C(=O)NCCN(C)C)c4ccccc4c3s2)cc1
InChIInChI=1S/C23H23N3O2S/c1-26(2)13-12-24-22(27)19-14-20-21(18-7-5-4-6-17(18)19)29-23(25-20)15-8-10-16(28-3)11-9-15/h4-11,14H,12-13H2,1-3H3,(H,24,27)
InChIKeyICCDIBOOYQQLGC-UHFFFAOYSA-N
MW405.52 g/mol
LogP4.42
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)benzo[g][1,3]benzothiazole-5-carboxamide

N-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)benzo[g][1,3]benzothiazole-5-carboxamide (PubChem CID 11774109) has the molecular formula C23H23N3O2S and a molecular weight of 405.52 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)benzo[g][1,3]benzothiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)benzo[g][1,3]benzothiazole-5-carboxamide
PubChem CID11774109
Molecular FormulaC23H23N3O2S
Molecular Weight405.52 g/mol
Exact Mass405.15
IUPAC NameN-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)benzo[g][1,3]benzothiazole-5-carboxamide
SMILESCOc1ccc(-c2nc3cc(C(=O)NCCN(C)C)c4ccccc4c3s2)cc1
InChIInChI=1S/C23H23N3O2S/c1-26(2)13-12-24-22(27)19-14-20-21(18-7-5-4-6-17(18)19)29-23(25-20)15-8-10-16(28-3)11-9-15/h4-11,14H,12-13H2,1-3H3,(H,24,27)
InChIKeyICCDIBOOYQQLGC-UHFFFAOYSA-N
XLogP4.42
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methoxyphenyl)-N-[4-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]butyl]quinoline-4-carboxamide
CID 3631336
N-[2-(dimethylamino)ethyl]-2-(4-fluorophenyl)quinoline-4-carboxamide
CID 2333756
N-[2-(dimethylamino)ethyl]-2-(4-propylphenyl)quinoline-4-carboxamide
CID 1261381
2-chloro-N-[2-(dimethylamino)ethyl]-4-methoxybenzamide
CID 110763480
N-[2-(dimethylamino)ethyl]-2-iodo-5-methoxybenzamide
CID 172648728
2-(4-methoxyphenyl)-N-[3-[methyl(methylsulfonyl)amino]propyl]quinoline-4-carboxamide
CID 46480420
N-[2-(dimethylamino)ethyl]-2-methoxy-5-phenylbenzamide
CID 110408034
3-amino-N-[2-(dimethylamino)ethyl]naphthalene-2-carboxamide
CID 61209338
4-amino-N-[2-(dimethylamino)ethyl]naphthalene-1-carboxamide
CID 164662948
2-(4-methoxyphenyl)-N-(3-methoxypropyl)quinoline-4-carboxamide
CID 2078342
1-[2-(dimethylamino)ethyl]-3-[(4-methoxyphenyl)methyl]urea
CID 108868221
2-(4-methoxyphenyl)-N-[[3-[[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]methyl]phenyl]methyl]quinoline-4-carboxamide
CID 5101494

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)benzo[g][1,3]benzothiazole-5-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)benzo[g][1,3]benzothiazole-5-carboxamide (CID 11774109) is N-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)benzo[g][1,3]benzothiazole-5-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)benzo[g][1,3]benzothiazole-5-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)benzo[g][1,3]benzothiazole-5-carboxamide is COc1ccc(-c2nc3cc(C(=O)NCCN(C)C)c4ccccc4c3s2)cc1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)benzo[g][1,3]benzothiazole-5-carboxamide?
The InChIKey is ICCDIBOOYQQLGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2S/c1-26(2)13-12-24-22(27)19-14-20-21(18-7-5-4-6-17(18)19)29-23(25-20)15-8-10-16(28-3)11-9-15/h4-11,14H,12-13H2,1-3H3,(H,24,27).
What are the key properties of N-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)benzo[g][1,3]benzothiazole-5-carboxamide?
N-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)benzo[g][1,3]benzothiazole-5-carboxamide has a molecular weight of 405.52 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)benzo[g][1,3]benzothiazole-5-carboxamide is sourced from PubChem (CID 11774109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).