N-[2-(dimethylamino)ethyl]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1H-indole-3-carboxamide

C22H24N4OS — CID 43962273

IUPACN-[2-(dimethylamino)ethyl]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1H-indole-3-carboxamide
SMILESCc1cc(C)c2nc(N(CCN(C)C)C(=O)c3c[nH]c4ccccc34)sc2c1
InChIInChI=1S/C22H24N4OS/c1-14-11-15(2)20-19(12-14)28-22(24-20)26(10-9-25(3)4)21(27)17-13-23-18-8-6-5-7-16(17)18/h5-8,11-13,23H,9-10H2,1-4H3
InChIKeyVLVJPPPKPMHJQR-UHFFFAOYSA-N
MW392.53 g/mol
LogP4.60
Rot. Bonds5

About N-[2-(dimethylamino)ethyl]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1H-indole-3-carboxamide

N-[2-(dimethylamino)ethyl]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1H-indole-3-carboxamide (PubChem CID 43962273) has the molecular formula C22H24N4OS and a molecular weight of 392.53 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1H-indole-3-carboxamide
PubChem CID43962273
Molecular FormulaC22H24N4OS
Molecular Weight392.53 g/mol
Exact Mass392.17
IUPAC NameN-[2-(dimethylamino)ethyl]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1H-indole-3-carboxamide
SMILESCc1cc(C)c2nc(N(CCN(C)C)C(=O)c3c[nH]c4ccccc34)sc2c1
InChIInChI=1S/C22H24N4OS/c1-14-11-15(2)20-19(12-14)28-22(24-20)26(10-9-25(3)4)21(27)17-13-23-18-8-6-5-7-16(17)18/h5-8,11-13,23H,9-10H2,1-4H3
InChIKeyVLVJPPPKPMHJQR-UHFFFAOYSA-N
XLogP4.60
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.53
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-1H-indole-3-carboxamide
CID 43963344
N-[2-(dimethylamino)ethyl]-N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]-1H-indole-3-carboxamide
CID 71778781
4-acetyl-N-[2-(dimethylamino)ethyl]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride
CID 44924487
3-bromo-N-[2-(dimethylamino)ethyl]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)benzamide
CID 41344409
5-bromo-2-chloro-N-[2-(dimethylamino)ethyl]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)benzamide
CID 43961138
N-[2-(dimethylamino)ethyl]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)acetamide
CID 8670619
N-[2-(dimethylamino)ethyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)-1H-indole-3-carboxamide
CID 43961841
N-[2-(dimethylamino)ethyl]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-phenoxybenzamide;hydrochloride
CID 44924539
N-[2-(dimethylamino)ethyl]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(2,4-dimethylphenyl)acetamide
CID 41099732
N-[2-(dimethylamino)ethyl]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-[methyl(phenyl)sulfamoyl]benzamide
CID 43959066
N-[3-(dimethylamino)propyl]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-ethylsulfanylbenzamide;hydrochloride
CID 44932113
N-[2-(dimethylamino)ethyl]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(2,4,6-trimethylphenyl)acetamide;hydrochloride
CID 44927539

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1H-indole-3-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1H-indole-3-carboxamide (CID 43962273) is N-[2-(dimethylamino)ethyl]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1H-indole-3-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1H-indole-3-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1H-indole-3-carboxamide is Cc1cc(C)c2nc(N(CCN(C)C)C(=O)c3c[nH]c4ccccc34)sc2c1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1H-indole-3-carboxamide?
The InChIKey is VLVJPPPKPMHJQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4OS/c1-14-11-15(2)20-19(12-14)28-22(24-20)26(10-9-25(3)4)21(27)17-13-23-18-8-6-5-7-16(17)18/h5-8,11-13,23H,9-10H2,1-4H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1H-indole-3-carboxamide?
N-[2-(dimethylamino)ethyl]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1H-indole-3-carboxamide has a molecular weight of 392.53 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1H-indole-3-carboxamide is sourced from PubChem (CID 43962273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).