N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-methyl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide

C20H19N5O2S — CID 42110514

IUPACN-(4-ethoxy-1,3-benzothiazol-2-yl)-2-methyl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide
SMILESCCOc1cccc2sc(N(Cc3cccnc3)C(=O)c3ccnn3C)nc12
InChIInChI=1S/C20H19N5O2S/c1-3-27-16-7-4-8-17-18(16)23-20(28-17)25(13-14-6-5-10-21-12-14)19(26)15-9-11-22-24(15)2/h4-12H,3,13H2,1-2H3
InChIKeyADNGBSMJKUXXQP-UHFFFAOYSA-N
MW393.47 g/mol
LogP3.67
Rot. Bonds6

About N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-methyl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide

N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-methyl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide (PubChem CID 42110514) has the molecular formula C20H19N5O2S and a molecular weight of 393.47 g/mol. Its IUPAC name is N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-methyl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxy-1,3-benzothiazol-2-yl)-2-methyl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide
PubChem CID42110514
Molecular FormulaC20H19N5O2S
Molecular Weight393.47 g/mol
Exact Mass393.13
IUPAC NameN-(4-ethoxy-1,3-benzothiazol-2-yl)-2-methyl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide
SMILESCCOc1cccc2sc(N(Cc3cccnc3)C(=O)c3ccnn3C)nc12
InChIInChI=1S/C20H19N5O2S/c1-3-27-16-7-4-8-17-18(16)23-20(28-17)25(13-14-6-5-10-21-12-14)19(26)15-9-11-22-24(15)2/h4-12H,3,13H2,1-2H3
InChIKeyADNGBSMJKUXXQP-UHFFFAOYSA-N
XLogP3.67
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-ethoxy-1,3-benzothiazol-2-yl)-3-methoxy-1-methyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
CID 43967468
7-ethoxy-N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxamide
CID 40889997
N-(1,3-benzothiazol-2-yl)-2-methyl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide
CID 25284546
2-(2,5-dioxopyrrolidin-1-yl)-N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 40983465
2-(2,4-dimethylphenyl)-N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 41318873
N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-methyl-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 43967472
N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 40983450
N-(4-ethoxy-1,3-benzothiazol-2-yl)-5-nitro-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide
CID 40983424
3-butoxy-N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide
CID 40983448
4-(dimethylsulfamoyl)-N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide
CID 18572535
N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-(2-methylphenoxy)-N-(pyridin-3-ylmethyl)acetamide
CID 43967151
2-(4-chlorophenyl)sulfanyl-N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 41117738

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-methyl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide?
The IUPAC name of N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-methyl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide (CID 42110514) is N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-methyl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-methyl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide?
The canonical SMILES for N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-methyl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide is CCOc1cccc2sc(N(Cc3cccnc3)C(=O)c3ccnn3C)nc12.
What is the InChIKey of N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-methyl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide?
The InChIKey is ADNGBSMJKUXXQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2S/c1-3-27-16-7-4-8-17-18(16)23-20(28-17)25(13-14-6-5-10-21-12-14)19(26)15-9-11-22-24(15)2/h4-12H,3,13H2,1-2H3.
What are the key properties of N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-methyl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide?
N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-methyl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide has a molecular weight of 393.47 g/mol, XLogP of 3.67, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-methyl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 42110514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).