N-[2-(dimethylamino)ethyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)-1H-indole-3-carboxamide

C22H24N4O2S — CID 43961841

IUPACN-[2-(dimethylamino)ethyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)-1H-indole-3-carboxamide
SMILESCCOc1ccc2nc(N(CCN(C)C)C(=O)c3c[nH]c4ccccc34)sc2c1
InChIInChI=1S/C22H24N4O2S/c1-4-28-15-9-10-19-20(13-15)29-22(24-19)26(12-11-25(2)3)21(27)17-14-23-18-8-6-5-7-16(17)18/h5-10,13-14,23H,4,11-12H2,1-3H3
InChIKeyYLDVUHNOBVLTTK-UHFFFAOYSA-N
MW408.53 g/mol
LogP4.38
Rot. Bonds7

About N-[2-(dimethylamino)ethyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)-1H-indole-3-carboxamide

N-[2-(dimethylamino)ethyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)-1H-indole-3-carboxamide (PubChem CID 43961841) has the molecular formula C22H24N4O2S and a molecular weight of 408.53 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)-1H-indole-3-carboxamide
PubChem CID43961841
Molecular FormulaC22H24N4O2S
Molecular Weight408.53 g/mol
Exact Mass408.16
IUPAC NameN-[2-(dimethylamino)ethyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)-1H-indole-3-carboxamide
SMILESCCOc1ccc2nc(N(CCN(C)C)C(=O)c3c[nH]c4ccccc34)sc2c1
InChIInChI=1S/C22H24N4O2S/c1-4-28-15-9-10-19-20(13-15)29-22(24-19)26(12-11-25(2)3)21(27)17-14-23-18-8-6-5-7-16(17)18/h5-10,13-14,23H,4,11-12H2,1-3H3
InChIKeyYLDVUHNOBVLTTK-UHFFFAOYSA-N
XLogP4.38
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.53
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-ethoxy-1,3-benzothiazol-2-yl)-N-[6-(hydroxyamino)-6-oxohexyl]-4-oxo-1H-quinoline-3-carboxamide
CID 87531372
N-[3-(dimethylamino)propyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 7512091
N-[2-(dimethylamino)ethyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-phenoxybenzamide;hydrochloride
CID 44923124
2,5-dichloro-N-[2-(dimethylamino)ethyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)thiophene-3-carboxamide;hydrochloride
CID 18563734
N-[2-(dimethylamino)ethyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methylbenzamide;hydrochloride
CID 44923029
N-[2-(dimethylamino)ethyl]-3,4-diethoxy-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 43961088
N-[2-(dimethylamino)ethyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-phenoxyacetamide
CID 7507488
4-butoxy-N-[2-(dimethylamino)ethyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide;hydrochloride
CID 44923050
N-[3-(dimethylamino)propyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-naphthalen-1-ylacetamide;hydrochloride
CID 44929779
N-[2-(dimethylamino)ethyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methyl-3-nitrobenzamide
CID 43961190
N-[2-(diethylamino)ethyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-iodobenzamide;hydrochloride
CID 16896536
N-[3-(dimethylamino)propyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-fluorobenzamide;hydrochloride
CID 44929710

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)-1H-indole-3-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)-1H-indole-3-carboxamide (CID 43961841) is N-[2-(dimethylamino)ethyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)-1H-indole-3-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)-1H-indole-3-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)-1H-indole-3-carboxamide is CCOc1ccc2nc(N(CCN(C)C)C(=O)c3c[nH]c4ccccc34)sc2c1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)-1H-indole-3-carboxamide?
The InChIKey is YLDVUHNOBVLTTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2S/c1-4-28-15-9-10-19-20(13-15)29-22(24-19)26(12-11-25(2)3)21(27)17-14-23-18-8-6-5-7-16(17)18/h5-10,13-14,23H,4,11-12H2,1-3H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)-1H-indole-3-carboxamide?
N-[2-(dimethylamino)ethyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)-1H-indole-3-carboxamide has a molecular weight of 408.53 g/mol, XLogP of 4.38, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)-1H-indole-3-carboxamide is sourced from PubChem (CID 43961841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).