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

C18H19N5OS — CID 46959878

IUPACN-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)-N-propylpyridine-4-carboxamide
SMILESCCCN(C(=O)c1ccncc1)c1nc2c(s1)CCc1c-2cnn1C
InChIInChI=1S/C18H19N5OS/c1-3-10-23(17(24)12-6-8-19-9-7-12)18-21-16-13-11-20-22(2)14(13)4-5-15(16)25-18/h6-9,11H,3-5,10H2,1-2H3
InChIKeyQBGWDBKTUNINNZ-UHFFFAOYSA-N
MW353.45 g/mol
LogP3.09
Rot. Bonds4

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

N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)-N-propylpyridine-4-carboxamide (PubChem CID 46959878) has the molecular formula C18H19N5OS and a molecular weight of 353.45 g/mol. Its IUPAC name is N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)-N-propylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)-N-propylpyridine-4-carboxamide
PubChem CID46959878
Molecular FormulaC18H19N5OS
Molecular Weight353.45 g/mol
Exact Mass353.13
IUPAC NameN-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)-N-propylpyridine-4-carboxamide
SMILESCCCN(C(=O)c1ccncc1)c1nc2c(s1)CCc1c-2cnn1C
InChIInChI=1S/C18H19N5OS/c1-3-10-23(17(24)12-6-8-19-9-7-12)18-21-16-13-11-20-22(2)14(13)4-5-15(16)25-18/h6-9,11H,3-5,10H2,1-2H3
InChIKeyQBGWDBKTUNINNZ-UHFFFAOYSA-N
XLogP3.09
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)-N-propylpyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 16032585
CID 16032585
CID 46959902
CID 46959902
CID 16618882
CID 16618882
CID 25627377
CID 25627377
CID 16352110
CID 16352110
CID 46959892
CID 46959892
CID 46959951
CID 46959951
CID 9571772
CID 9571772
CID 16952578
CID 16952578
CID 25284535
CID 25284535
CID 25284542
CID 25284542
CID 25284739
CID 25284739

Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)-N-propylpyridine-4-carboxamide?
The IUPAC name of N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)-N-propylpyridine-4-carboxamide (CID 46959878) is N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)-N-propylpyridine-4-carboxamide.
What is the SMILES notation for N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)-N-propylpyridine-4-carboxamide?
The canonical SMILES for N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)-N-propylpyridine-4-carboxamide is CCCN(C(=O)c1ccncc1)c1nc2c(s1)CCc1c-2cnn1C.
What is the InChIKey of N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)-N-propylpyridine-4-carboxamide?
The InChIKey is QBGWDBKTUNINNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5OS/c1-3-10-23(17(24)12-6-8-19-9-7-12)18-21-16-13-11-20-22(2)14(13)4-5-15(16)25-18/h6-9,11H,3-5,10H2,1-2H3.
What are the key properties of N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)-N-propylpyridine-4-carboxamide?
N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)-N-propylpyridine-4-carboxamide has a molecular weight of 353.45 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)-N-propylpyridine-4-carboxamide is sourced from PubChem (CID 46959878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).