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

C21H28ClN5O2S — CID 71780056

IUPAC1-ethyl-N-(4-ethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide;hydrochloride
SMILESCCc1cccc2sc(N(CCN3CCOCC3)C(=O)c3ccn(CC)n3)nc12.Cl
InChIInChI=1S/C21H27N5O2S.ClH/c1-3-16-6-5-7-18-19(16)22-21(29-18)26(11-10-24-12-14-28-15-13-24)20(27)17-8-9-25(4-2)23-17;/h5-9H,3-4,10-15H2,1-2H3;1H
InChIKeyVQYXTRWFTTVZTM-UHFFFAOYSA-N
MW450.01 g/mol
LogP3.48
Rot. Bonds7

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

1-ethyl-N-(4-ethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide;hydrochloride (PubChem CID 71780056) has the molecular formula C21H28ClN5O2S and a molecular weight of 450.01 g/mol. Its IUPAC name is 1-ethyl-N-(4-ethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-ethyl-N-(4-ethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide;hydrochloride
PubChem CID71780056
Molecular FormulaC21H28ClN5O2S
Molecular Weight450.01 g/mol
Exact Mass449.17
IUPAC Name1-ethyl-N-(4-ethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide;hydrochloride
SMILESCCc1cccc2sc(N(CCN3CCOCC3)C(=O)c3ccn(CC)n3)nc12.Cl
InChIInChI=1S/C21H27N5O2S.ClH/c1-3-16-6-5-7-18-19(16)22-21(29-18)26(11-10-24-12-14-28-15-13-24)20(27)17-8-9-25(4-2)23-17;/h5-9H,3-4,10-15H2,1-2H3;1H
InChIKeyVQYXTRWFTTVZTM-UHFFFAOYSA-N
XLogP3.48
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.01
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2,5-dichloro-N-(4-ethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)thiophene-3-carboxamide;hydrochloride
CID 44932886
N-(4-ethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)naphthalene-2-carboxamide
CID 25319285
N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-1-ethyl-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide
CID 30851587
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CID 18583071
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N-(4-ethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-3-phenylpropanamide
CID 7622394
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CID 29068895
N-(4-ethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-3-nitrobenzamide
CID 29137496
N-(4-ethyl-1,3-benzothiazol-2-yl)-2-iodo-N-(3-morpholin-4-ylpropyl)benzamide
CID 43998574
N-(6-chloro-1,3-benzothiazol-2-yl)-1-ethyl-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide
CID 30851583
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CID 7622403
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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(4-ethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide;hydrochloride?
The IUPAC name of 1-ethyl-N-(4-ethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide;hydrochloride (CID 71780056) is 1-ethyl-N-(4-ethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide;hydrochloride.
What is the SMILES notation for 1-ethyl-N-(4-ethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide;hydrochloride?
The canonical SMILES for 1-ethyl-N-(4-ethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide;hydrochloride is CCc1cccc2sc(N(CCN3CCOCC3)C(=O)c3ccn(CC)n3)nc12.Cl.
What is the InChIKey of 1-ethyl-N-(4-ethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide;hydrochloride?
The InChIKey is VQYXTRWFTTVZTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2S.ClH/c1-3-16-6-5-7-18-19(16)22-21(29-18)26(11-10-24-12-14-28-15-13-24)20(27)17-8-9-25(4-2)23-17;/h5-9H,3-4,10-15H2,1-2H3;1H.
What are the key properties of 1-ethyl-N-(4-ethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide;hydrochloride?
1-ethyl-N-(4-ethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide;hydrochloride has a molecular weight of 450.01 g/mol, XLogP of 3.48, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(4-ethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 71780056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).