2-methyl-2-(4-methylanilino)-N-(6H-pyrazolo[5,4-g][1,3]benzothiazol-2-yl)propanamide

C19H19N5OS — CID 24769599

IUPAC2-methyl-2-(4-methylanilino)-N-(6H-pyrazolo[5,4-g][1,3]benzothiazol-2-yl)propanamide
SMILESCc1ccc(NC(C)(C)C(=O)Nc2nc3ccc4[nH]ncc4c3s2)cc1
InChIInChI=1S/C19H19N5OS/c1-11-4-6-12(7-5-11)23-19(2,3)17(25)22-18-21-15-9-8-14-13(10-20-24-14)16(15)26-18/h4-10,23H,1-3H3,(H,20,24)(H,21,22,25)
InChIKeyUMUWRRNZZXKOAY-UHFFFAOYSA-N
MW365.46 g/mol
LogP4.31
Rot. Bonds4

About 2-methyl-2-(4-methylanilino)-N-(6H-pyrazolo[5,4-g][1,3]benzothiazol-2-yl)propanamide

2-methyl-2-(4-methylanilino)-N-(6H-pyrazolo[5,4-g][1,3]benzothiazol-2-yl)propanamide (PubChem CID 24769599) has the molecular formula C19H19N5OS and a molecular weight of 365.46 g/mol. Its IUPAC name is 2-methyl-2-(4-methylanilino)-N-(6H-pyrazolo[5,4-g][1,3]benzothiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-methyl-2-(4-methylanilino)-N-(6H-pyrazolo[5,4-g][1,3]benzothiazol-2-yl)propanamide
PubChem CID24769599
Molecular FormulaC19H19N5OS
Molecular Weight365.46 g/mol
Exact Mass365.13
IUPAC Name2-methyl-2-(4-methylanilino)-N-(6H-pyrazolo[5,4-g][1,3]benzothiazol-2-yl)propanamide
SMILESCc1ccc(NC(C)(C)C(=O)Nc2nc3ccc4[nH]ncc4c3s2)cc1
InChIInChI=1S/C19H19N5OS/c1-11-4-6-12(7-5-11)23-19(2,3)17(25)22-18-21-15-9-8-14-13(10-20-24-14)16(15)26-18/h4-10,23H,1-3H3,(H,20,24)(H,21,22,25)
InChIKeyUMUWRRNZZXKOAY-UHFFFAOYSA-N
XLogP4.31
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 54.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(4-methylanilino)-N-(6H-pyrazolo[5,4-g][1,3]benzothiazol-2-yl)propanamide?
The IUPAC name of 2-methyl-2-(4-methylanilino)-N-(6H-pyrazolo[5,4-g][1,3]benzothiazol-2-yl)propanamide (CID 24769599) is 2-methyl-2-(4-methylanilino)-N-(6H-pyrazolo[5,4-g][1,3]benzothiazol-2-yl)propanamide.
What is the SMILES notation for 2-methyl-2-(4-methylanilino)-N-(6H-pyrazolo[5,4-g][1,3]benzothiazol-2-yl)propanamide?
The canonical SMILES for 2-methyl-2-(4-methylanilino)-N-(6H-pyrazolo[5,4-g][1,3]benzothiazol-2-yl)propanamide is Cc1ccc(NC(C)(C)C(=O)Nc2nc3ccc4[nH]ncc4c3s2)cc1.
What is the InChIKey of 2-methyl-2-(4-methylanilino)-N-(6H-pyrazolo[5,4-g][1,3]benzothiazol-2-yl)propanamide?
The InChIKey is UMUWRRNZZXKOAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5OS/c1-11-4-6-12(7-5-11)23-19(2,3)17(25)22-18-21-15-9-8-14-13(10-20-24-14)16(15)26-18/h4-10,23H,1-3H3,(H,20,24)(H,21,22,25).
What are the key properties of 2-methyl-2-(4-methylanilino)-N-(6H-pyrazolo[5,4-g][1,3]benzothiazol-2-yl)propanamide?
2-methyl-2-(4-methylanilino)-N-(6H-pyrazolo[5,4-g][1,3]benzothiazol-2-yl)propanamide has a molecular weight of 365.46 g/mol, XLogP of 4.31, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(4-methylanilino)-N-(6H-pyrazolo[5,4-g][1,3]benzothiazol-2-yl)propanamide is sourced from PubChem (CID 24769599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).