N-[2-(diethylamino)ethyl]-4-(dimethylamino)-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide;hydrochloride

C23H31ClN4O2S — CID 44925954

IUPACN-[2-(diethylamino)ethyl]-4-(dimethylamino)-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide;hydrochloride
SMILESCCN(CC)CCN(C(=O)c1ccc(N(C)C)cc1)c1nc2c(OC)cccc2s1.Cl
InChIInChI=1S/C23H30N4O2S.ClH/c1-6-26(7-2)15-16-27(22(28)17-11-13-18(14-12-17)25(3)4)23-24-21-19(29-5)9-8-10-20(21)30-23;/h8-14H,6-7,15-16H2,1-5H3;1H
InChIKeyBENXCLPISMQILV-UHFFFAOYSA-N
MW463.05 g/mol
LogP4.78
Rot. Bonds9

About N-[2-(diethylamino)ethyl]-4-(dimethylamino)-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide;hydrochloride

N-[2-(diethylamino)ethyl]-4-(dimethylamino)-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide;hydrochloride (PubChem CID 44925954) has the molecular formula C23H31ClN4O2S and a molecular weight of 463.05 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-4-(dimethylamino)-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-4-(dimethylamino)-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide;hydrochloride
PubChem CID44925954
Molecular FormulaC23H31ClN4O2S
Molecular Weight463.05 g/mol
Exact Mass462.19
IUPAC NameN-[2-(diethylamino)ethyl]-4-(dimethylamino)-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide;hydrochloride
SMILESCCN(CC)CCN(C(=O)c1ccc(N(C)C)cc1)c1nc2c(OC)cccc2s1.Cl
InChIInChI=1S/C23H30N4O2S.ClH/c1-6-26(7-2)15-16-27(22(28)17-11-13-18(14-12-17)25(3)4)23-24-21-19(29-5)9-8-10-20(21)30-23;/h8-14H,6-7,15-16H2,1-5H3;1H
InChIKeyBENXCLPISMQILV-UHFFFAOYSA-N
XLogP4.78
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.05
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-bromo-N-[2-(diethylamino)ethyl]-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide;hydrochloride
CID 44925880
3-chloro-N-[2-(diethylamino)ethyl]-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide;hydrochloride
CID 44925874
N-[2-(diethylamino)ethyl]-N-(4-methoxy-1,3-benzothiazol-2-yl)-4-[methyl(phenyl)sulfamoyl]benzamide
CID 43959711
4-[butyl(ethyl)sulfamoyl]-N-[2-(diethylamino)ethyl]-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 43959716
4-bromo-N-[2-(dimethylamino)ethyl]-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide;hydrochloride
CID 44923636
4-[bis(prop-2-enyl)sulfamoyl]-N-[2-(diethylamino)ethyl]-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 43959700
4-acetyl-N-[2-(diethylamino)ethyl]-N-(4-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 41345519
N-[2-(dimethylamino)ethyl]-N-(4-methoxy-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide;hydrochloride
CID 44923696
4-[bis(2-cyanoethyl)sulfamoyl]-N-[2-(diethylamino)ethyl]-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 43959690
N-[2-(diethylamino)ethyl]-3,4-dimethoxy-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride
CID 44946922
N-[2-(diethylamino)ethyl]-4-(dimethylamino)-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)benzamide
CID 7525178
4-benzoyl-N-[2-(diethylamino)ethyl]-N-(4-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 43959733

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-4-(dimethylamino)-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide;hydrochloride?
The IUPAC name of N-[2-(diethylamino)ethyl]-4-(dimethylamino)-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide;hydrochloride (CID 44925954) is N-[2-(diethylamino)ethyl]-4-(dimethylamino)-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide;hydrochloride.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-4-(dimethylamino)-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide;hydrochloride?
The canonical SMILES for N-[2-(diethylamino)ethyl]-4-(dimethylamino)-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide;hydrochloride is CCN(CC)CCN(C(=O)c1ccc(N(C)C)cc1)c1nc2c(OC)cccc2s1.Cl.
What is the InChIKey of N-[2-(diethylamino)ethyl]-4-(dimethylamino)-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide;hydrochloride?
The InChIKey is BENXCLPISMQILV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2S.ClH/c1-6-26(7-2)15-16-27(22(28)17-11-13-18(14-12-17)25(3)4)23-24-21-19(29-5)9-8-10-20(21)30-23;/h8-14H,6-7,15-16H2,1-5H3;1H.
What are the key properties of N-[2-(diethylamino)ethyl]-4-(dimethylamino)-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide;hydrochloride?
N-[2-(diethylamino)ethyl]-4-(dimethylamino)-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide;hydrochloride has a molecular weight of 463.05 g/mol, XLogP of 4.78, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-4-(dimethylamino)-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide;hydrochloride is sourced from PubChem (CID 44925954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).