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

C18H19N5OS — CID 46959877

IUPACN-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)-N-propylpyridine-3-carboxamide
SMILESCCCN(C(=O)c1cccnc1)c1nc2c(s1)CCc1c-2cnn1C
InChIInChI=1S/C18H19N5OS/c1-3-9-23(17(24)12-5-4-8-19-10-12)18-21-16-13-11-20-22(2)14(13)6-7-15(16)25-18/h4-5,8,10-11H,3,6-7,9H2,1-2H3
InChIKeyKSUIBZHPWGENDF-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-3-carboxamide

N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)-N-propylpyridine-3-carboxamide (PubChem CID 46959877) 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-3-carboxamide.

Molecular Properties

Compound NameN-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)-N-propylpyridine-3-carboxamide
PubChem CID46959877
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-3-carboxamide
SMILESCCCN(C(=O)c1cccnc1)c1nc2c(s1)CCc1c-2cnn1C
InChIInChI=1S/C18H19N5OS/c1-3-9-23(17(24)12-5-4-8-19-10-12)18-21-16-13-11-20-22(2)14(13)6-7-15(16)25-18/h4-5,8,10-11H,3,6-7,9H2,1-2H3
InChIKeyKSUIBZHPWGENDF-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

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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-3-carboxamide?
The IUPAC name of N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)-N-propylpyridine-3-carboxamide (CID 46959877) is N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)-N-propylpyridine-3-carboxamide.
What is the SMILES notation for N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)-N-propylpyridine-3-carboxamide?
The canonical SMILES for N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)-N-propylpyridine-3-carboxamide is CCCN(C(=O)c1cccnc1)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-3-carboxamide?
The InChIKey is KSUIBZHPWGENDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5OS/c1-3-9-23(17(24)12-5-4-8-19-10-12)18-21-16-13-11-20-22(2)14(13)6-7-15(16)25-18/h4-5,8,10-11H,3,6-7,9H2,1-2H3.
What are the key properties of N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)-N-propylpyridine-3-carboxamide?
N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)-N-propylpyridine-3-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-3-carboxamide is sourced from PubChem (CID 46959877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).