N-(6-chloro-1,3-benzothiazol-2-yl)-1-ethyl-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide

C20H24ClN5O2S — CID 30851583

IUPACN-(6-chloro-1,3-benzothiazol-2-yl)-1-ethyl-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide
SMILESCCn1ccc(C(=O)N(CCCN2CCOCC2)c2nc3ccc(Cl)cc3s2)n1
InChIInChI=1S/C20H24ClN5O2S/c1-2-25-9-6-17(23-25)19(27)26(8-3-7-24-10-12-28-13-11-24)20-22-16-5-4-15(21)14-18(16)29-20/h4-6,9,14H,2-3,7-8,10-13H2,1H3
InChIKeyPDPRLIHDQANBKL-UHFFFAOYSA-N
MW433.97 g/mol
LogP3.54
Rot. Bonds7

About N-(6-chloro-1,3-benzothiazol-2-yl)-1-ethyl-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide

N-(6-chloro-1,3-benzothiazol-2-yl)-1-ethyl-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide (PubChem CID 30851583) has the molecular formula C20H24ClN5O2S and a molecular weight of 433.97 g/mol. Its IUPAC name is N-(6-chloro-1,3-benzothiazol-2-yl)-1-ethyl-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(6-chloro-1,3-benzothiazol-2-yl)-1-ethyl-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide
PubChem CID30851583
Molecular FormulaC20H24ClN5O2S
Molecular Weight433.97 g/mol
Exact Mass433.13
IUPAC NameN-(6-chloro-1,3-benzothiazol-2-yl)-1-ethyl-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide
SMILESCCn1ccc(C(=O)N(CCCN2CCOCC2)c2nc3ccc(Cl)cc3s2)n1
InChIInChI=1S/C20H24ClN5O2S/c1-2-25-9-6-17(23-25)19(27)26(8-3-7-24-10-12-28-13-11-24)20-22-16-5-4-15(21)14-18(16)29-20/h4-6,9,14H,2-3,7-8,10-13H2,1H3
InChIKeyPDPRLIHDQANBKL-UHFFFAOYSA-N
XLogP3.54
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.97
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-(6-chloro-1,3-benzothiazol-2-yl)-3-ethylsulfonyl-N-(3-morpholin-4-ylpropyl)benzamide
CID 29071436
N-(6-chloro-1,3-benzothiazol-2-yl)-3-methoxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 25305370
N-(6-chloro-1,3-benzothiazol-2-yl)-3-methylsulfonyl-N-(3-morpholin-4-ylpropyl)benzamide
CID 29071438
N-(6-chloro-1,3-benzothiazol-2-yl)-4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 7622683
N-(6-chloro-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-3-nitrobenzamide
CID 29071236
2,5-dichloro-N-(6-chloro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide;hydrochloride
CID 44933425
4-chloro-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 29073730
N-(6-chloro-1,3-benzothiazol-2-yl)-4-ethylsulfanyl-N-(2-morpholin-4-ylethyl)benzamide
CID 29138107
1-ethyl-N-(4-ethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide;hydrochloride
CID 71780056
4-butoxy-N-(6-chloro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide
CID 29138055
N-(6-chloro-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)acetamide
CID 29071395
2-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide;hydrochloride
CID 44933409

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-1,3-benzothiazol-2-yl)-1-ethyl-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide?
The IUPAC name of N-(6-chloro-1,3-benzothiazol-2-yl)-1-ethyl-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide (CID 30851583) is N-(6-chloro-1,3-benzothiazol-2-yl)-1-ethyl-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-(6-chloro-1,3-benzothiazol-2-yl)-1-ethyl-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide?
The canonical SMILES for N-(6-chloro-1,3-benzothiazol-2-yl)-1-ethyl-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide is CCn1ccc(C(=O)N(CCCN2CCOCC2)c2nc3ccc(Cl)cc3s2)n1.
What is the InChIKey of N-(6-chloro-1,3-benzothiazol-2-yl)-1-ethyl-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide?
The InChIKey is PDPRLIHDQANBKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN5O2S/c1-2-25-9-6-17(23-25)19(27)26(8-3-7-24-10-12-28-13-11-24)20-22-16-5-4-15(21)14-18(16)29-20/h4-6,9,14H,2-3,7-8,10-13H2,1H3.
What are the key properties of N-(6-chloro-1,3-benzothiazol-2-yl)-1-ethyl-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide?
N-(6-chloro-1,3-benzothiazol-2-yl)-1-ethyl-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide has a molecular weight of 433.97 g/mol, XLogP of 3.54, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-1,3-benzothiazol-2-yl)-1-ethyl-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide is sourced from PubChem (CID 30851583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).