N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-1-ethyl-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide

C20H24ClN5O2S — CID 30851587

IUPACN-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-1-ethyl-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide
SMILESCCn1ccc(C(=O)N(CCN2CCOCC2)c2nc3c(C)ccc(Cl)c3s2)n1
InChIInChI=1S/C20H24ClN5O2S/c1-3-25-7-6-16(23-25)19(27)26(9-8-24-10-12-28-13-11-24)20-22-17-14(2)4-5-15(21)18(17)29-20/h4-7H,3,8-13H2,1-2H3
InChIKeyVSTUJDKQTGKWOT-UHFFFAOYSA-N
MW433.97 g/mol
LogP3.45
Rot. Bonds6

About N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-1-ethyl-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide

N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-1-ethyl-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide (PubChem CID 30851587) has the molecular formula C20H24ClN5O2S and a molecular weight of 433.97 g/mol. Its IUPAC name is N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-1-ethyl-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-1-ethyl-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide
PubChem CID30851587
Molecular FormulaC20H24ClN5O2S
Molecular Weight433.97 g/mol
Exact Mass433.13
IUPAC NameN-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-1-ethyl-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide
SMILESCCn1ccc(C(=O)N(CCN2CCOCC2)c2nc3c(C)ccc(Cl)c3s2)n1
InChIInChI=1S/C20H24ClN5O2S/c1-3-25-7-6-16(23-25)19(27)26(9-8-24-10-12-28-13-11-24)20-22-17-14(2)4-5-15(21)18(17)29-20/h4-7H,3,8-13H2,1-2H3
InChIKeyVSTUJDKQTGKWOT-UHFFFAOYSA-N
XLogP3.45
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.97
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)pyrazine-2-carboxamide
CID 43998363
N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-3,5-dimethyl-N-(2-morpholin-4-ylethyl)benzamide
CID 43997461
N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-ethoxy-N-(2-morpholin-4-ylethyl)benzamide
CID 29138610
N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-methoxy-N-(2-morpholin-4-ylethyl)benzamide;hydrochloride
CID 44900540
1-ethyl-N-(4-ethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide;hydrochloride
CID 71780056
N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)furan-2-carboxamide;hydrochloride
CID 18583463
N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-1H-indole-3-carboxamide
CID 43998342
N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)acetamide
CID 25319852
4-chloro-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide
CID 25319784
N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(2,5-dioxopyrrolidin-1-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 29138613
N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2,5-dimethyl-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide
CID 30607780
N-(6-chloro-1,3-benzothiazol-2-yl)-1-ethyl-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide
CID 30851583

Frequently Asked Questions

What is the IUPAC name of N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-1-ethyl-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide?
The IUPAC name of N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-1-ethyl-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide (CID 30851587) is N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-1-ethyl-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-1-ethyl-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide?
The canonical SMILES for N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-1-ethyl-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide is CCn1ccc(C(=O)N(CCN2CCOCC2)c2nc3c(C)ccc(Cl)c3s2)n1.
What is the InChIKey of N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-1-ethyl-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide?
The InChIKey is VSTUJDKQTGKWOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN5O2S/c1-3-25-7-6-16(23-25)19(27)26(9-8-24-10-12-28-13-11-24)20-22-17-14(2)4-5-15(21)18(17)29-20/h4-7H,3,8-13H2,1-2H3.
What are the key properties of N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-1-ethyl-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide?
N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-1-ethyl-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide has a molecular weight of 433.97 g/mol, XLogP of 3.45, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-1-ethyl-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 30851587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).