N-(4-chloro-1,3-benzothiazol-2-yl)-1,4-dimethyl-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide;hydrochloride

C19H23Cl2N5O2S — CID 71779946

IUPACN-(4-chloro-1,3-benzothiazol-2-yl)-1,4-dimethyl-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide;hydrochloride
SMILESCc1cn(C)nc1C(=O)N(CCN1CCOCC1)c1nc2c(Cl)cccc2s1.Cl
InChIInChI=1S/C19H22ClN5O2S.ClH/c1-13-12-23(2)22-16(13)18(26)25(7-6-24-8-10-27-11-9-24)19-21-17-14(20)4-3-5-15(17)28-19;/h3-5,12H,6-11H2,1-2H3;1H
InChIKeyYWGUVHDNQCJGIZ-UHFFFAOYSA-N
MW456.40 g/mol
LogP3.39
Rot. Bonds5

About N-(4-chloro-1,3-benzothiazol-2-yl)-1,4-dimethyl-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide;hydrochloride

N-(4-chloro-1,3-benzothiazol-2-yl)-1,4-dimethyl-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide;hydrochloride (PubChem CID 71779946) has the molecular formula C19H23Cl2N5O2S and a molecular weight of 456.40 g/mol. Its IUPAC name is N-(4-chloro-1,3-benzothiazol-2-yl)-1,4-dimethyl-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(4-chloro-1,3-benzothiazol-2-yl)-1,4-dimethyl-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide;hydrochloride
PubChem CID71779946
Molecular FormulaC19H23Cl2N5O2S
Molecular Weight456.40 g/mol
Exact Mass455.09
IUPAC NameN-(4-chloro-1,3-benzothiazol-2-yl)-1,4-dimethyl-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide;hydrochloride
SMILESCc1cn(C)nc1C(=O)N(CCN1CCOCC1)c1nc2c(Cl)cccc2s1.Cl
InChIInChI=1S/C19H22ClN5O2S.ClH/c1-13-12-23(2)22-16(13)18(26)25(7-6-24-8-10-27-11-9-24)19-21-17-14(20)4-3-5-15(17)28-19;/h3-5,12H,6-11H2,1-2H3;1H
InChIKeyYWGUVHDNQCJGIZ-UHFFFAOYSA-N
XLogP3.39
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.40
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 18583109
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CID 18583107
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CID 18583090
N-(4-chloro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 43997955
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CID 30851392
N-(4-chloro-1,3-benzothiazol-2-yl)-2-iodo-N-(3-morpholin-4-ylpropyl)benzamide;hydrochloride
CID 44934742
4-tert-butyl-N-(4-chloro-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 43998694
N-(4-chloro-1,3-benzothiazol-2-yl)-3-(2-chlorophenyl)-5-methyl-N-(3-morpholin-4-ylpropyl)-1,2-oxazole-4-carboxamide;hydrochloride
CID 121046515
2-bromo-N-(4-chloro-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 29069473
N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-1,3-benzothiazole-2-carboxamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-1,3-benzothiazol-2-yl)-1,4-dimethyl-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide;hydrochloride?
The IUPAC name of N-(4-chloro-1,3-benzothiazol-2-yl)-1,4-dimethyl-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide;hydrochloride (CID 71779946) is N-(4-chloro-1,3-benzothiazol-2-yl)-1,4-dimethyl-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(4-chloro-1,3-benzothiazol-2-yl)-1,4-dimethyl-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide;hydrochloride?
The canonical SMILES for N-(4-chloro-1,3-benzothiazol-2-yl)-1,4-dimethyl-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide;hydrochloride is Cc1cn(C)nc1C(=O)N(CCN1CCOCC1)c1nc2c(Cl)cccc2s1.Cl.
What is the InChIKey of N-(4-chloro-1,3-benzothiazol-2-yl)-1,4-dimethyl-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide;hydrochloride?
The InChIKey is YWGUVHDNQCJGIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN5O2S.ClH/c1-13-12-23(2)22-16(13)18(26)25(7-6-24-8-10-27-11-9-24)19-21-17-14(20)4-3-5-15(17)28-19;/h3-5,12H,6-11H2,1-2H3;1H.
What are the key properties of N-(4-chloro-1,3-benzothiazol-2-yl)-1,4-dimethyl-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide;hydrochloride?
N-(4-chloro-1,3-benzothiazol-2-yl)-1,4-dimethyl-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide;hydrochloride has a molecular weight of 456.40 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-1,3-benzothiazol-2-yl)-1,4-dimethyl-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 71779946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).