N-(2-methoxyethyl)-N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)pyridine-2-carboxamide

C18H19N5O2S — CID 46959902

IUPACN-(2-methoxyethyl)-N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)pyridine-2-carboxamide
SMILESCOCCN(C(=O)c1ccccn1)c1nc2c(s1)CCc1c-2cnn1C
InChIInChI=1S/C18H19N5O2S/c1-22-14-6-7-15-16(12(14)11-20-22)21-18(26-15)23(9-10-25-2)17(24)13-5-3-4-8-19-13/h3-5,8,11H,6-7,9-10H2,1-2H3
InChIKeyDJVTVMSNHWSVHV-UHFFFAOYSA-N
MW369.45 g/mol
LogP2.33
Rot. Bonds5

About N-(2-methoxyethyl)-N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)pyridine-2-carboxamide

N-(2-methoxyethyl)-N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)pyridine-2-carboxamide (PubChem CID 46959902) has the molecular formula C18H19N5O2S and a molecular weight of 369.45 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)pyridine-2-carboxamide
PubChem CID46959902
Molecular FormulaC18H19N5O2S
Molecular Weight369.45 g/mol
Exact Mass369.13
IUPAC NameN-(2-methoxyethyl)-N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)pyridine-2-carboxamide
SMILESCOCCN(C(=O)c1ccccn1)c1nc2c(s1)CCc1c-2cnn1C
InChIInChI=1S/C18H19N5O2S/c1-22-14-6-7-15-16(12(14)11-20-22)21-18(26-15)23(9-10-25-2)17(24)13-5-3-4-8-19-13/h3-5,8,11H,6-7,9-10H2,1-2H3
InChIKeyDJVTVMSNHWSVHV-UHFFFAOYSA-N
XLogP2.33
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)pyridine-2-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)pyridine-2-carboxamide (CID 46959902) is N-(2-methoxyethyl)-N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)pyridine-2-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)pyridine-2-carboxamide is COCCN(C(=O)c1ccccn1)c1nc2c(s1)CCc1c-2cnn1C.
What is the InChIKey of N-(2-methoxyethyl)-N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)pyridine-2-carboxamide?
The InChIKey is DJVTVMSNHWSVHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2S/c1-22-14-6-7-15-16(12(14)11-20-22)21-18(26-15)23(9-10-25-2)17(24)13-5-3-4-8-19-13/h3-5,8,11H,6-7,9-10H2,1-2H3.
What are the key properties of N-(2-methoxyethyl)-N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)pyridine-2-carboxamide?
N-(2-methoxyethyl)-N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)pyridine-2-carboxamide has a molecular weight of 369.45 g/mol, XLogP of 2.33, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 46959902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).