N-(1,3-benzothiazol-2-yl)-1,5-dimethyl-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide

C20H25N5O2S — CID 16847538

IUPACN-(1,3-benzothiazol-2-yl)-1,5-dimethyl-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide
SMILESCc1cc(C(=O)N(CCCN2CCOCC2)c2nc3ccccc3s2)nn1C
InChIInChI=1S/C20H25N5O2S/c1-15-14-17(22-23(15)2)19(26)25(9-5-8-24-10-12-27-13-11-24)20-21-16-6-3-4-7-18(16)28-20/h3-4,6-7,14H,5,8-13H2,1-2H3
InChIKeyXSDOUZYFIBQDGC-UHFFFAOYSA-N
MW399.52 g/mol
LogP2.71
Rot. Bonds6

About N-(1,3-benzothiazol-2-yl)-1,5-dimethyl-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide

N-(1,3-benzothiazol-2-yl)-1,5-dimethyl-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide (PubChem CID 16847538) has the molecular formula C20H25N5O2S and a molecular weight of 399.52 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-1,5-dimethyl-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-1,5-dimethyl-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide
PubChem CID16847538
Molecular FormulaC20H25N5O2S
Molecular Weight399.52 g/mol
Exact Mass399.17
IUPAC NameN-(1,3-benzothiazol-2-yl)-1,5-dimethyl-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide
SMILESCc1cc(C(=O)N(CCCN2CCOCC2)c2nc3ccccc3s2)nn1C
InChIInChI=1S/C20H25N5O2S/c1-15-14-17(22-23(15)2)19(26)25(9-5-8-24-10-12-27-13-11-24)20-21-16-6-3-4-7-18(16)28-20/h3-4,6-7,14H,5,8-13H2,1-2H3
InChIKeyXSDOUZYFIBQDGC-UHFFFAOYSA-N
XLogP2.71
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.52
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-fluoro-1,3-benzothiazol-2-yl)-1,5-dimethyl-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide
CID 16802572
N-(1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide;hydrochloride
CID 44934229
N-(1,3-benzothiazol-2-yl)-2-methylsulfanyl-N-(3-morpholin-4-ylpropyl)benzamide;hydrochloride
CID 44934267
N-(1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-4-phenylbenzamide;hydrochloride
CID 44934172
N-(1,3-benzothiazol-2-yl)-3-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 7622225
2-bromo-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 29070229
N-(1,3-benzothiazol-2-yl)-4-(dimethylsulfamoyl)-N-(3-morpholin-4-ylpropyl)benzamide;hydrochloride
CID 44899563
N-(1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-3-nitrobenzamide
CID 18581591
N-(1,3-benzothiazol-2-yl)-2-(5-chlorothiophen-2-yl)-N-(3-morpholin-4-ylpropyl)acetamide
CID 30515858
2-bromo-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 29073752
N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-1,3-benzothiazole-2-carboxamide
CID 29138774
N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 7615664

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-1,5-dimethyl-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-1,5-dimethyl-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide (CID 16847538) is N-(1,3-benzothiazol-2-yl)-1,5-dimethyl-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-1,5-dimethyl-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-1,5-dimethyl-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide is Cc1cc(C(=O)N(CCCN2CCOCC2)c2nc3ccccc3s2)nn1C.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-1,5-dimethyl-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide?
The InChIKey is XSDOUZYFIBQDGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2S/c1-15-14-17(22-23(15)2)19(26)25(9-5-8-24-10-12-27-13-11-24)20-21-16-6-3-4-7-18(16)28-20/h3-4,6-7,14H,5,8-13H2,1-2H3.
What are the key properties of N-(1,3-benzothiazol-2-yl)-1,5-dimethyl-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide?
N-(1,3-benzothiazol-2-yl)-1,5-dimethyl-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide has a molecular weight of 399.52 g/mol, XLogP of 2.71, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-1,5-dimethyl-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide is sourced from PubChem (CID 16847538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).