2-methyl-N'-(thieno[3,2-b][1]benzothiole-2-carbonyl)imidazo[1,2-a]pyridine-3-carbohydrazide

C20H14N4O2S2 — CID 24502809

IUPAC2-methyl-N'-(thieno[3,2-b][1]benzothiole-2-carbonyl)imidazo[1,2-a]pyridine-3-carbohydrazide
SMILESCc1nc2ccccn2c1C(=O)NNC(=O)c1cc2sc3ccccc3c2s1
InChIInChI=1S/C20H14N4O2S2/c1-11-17(24-9-5-4-8-16(24)21-11)20(26)23-22-19(25)15-10-14-18(28-15)12-6-2-3-7-13(12)27-14/h2-10H,1H3,(H,22,25)(H,23,26)
InChIKeyWPGQVESRWJCUQB-UHFFFAOYSA-N
MW406.49 g/mol
LogP4.15
Rot. Bonds2

About 2-methyl-N'-(thieno[3,2-b][1]benzothiole-2-carbonyl)imidazo[1,2-a]pyridine-3-carbohydrazide

2-methyl-N'-(thieno[3,2-b][1]benzothiole-2-carbonyl)imidazo[1,2-a]pyridine-3-carbohydrazide (PubChem CID 24502809) has the molecular formula C20H14N4O2S2 and a molecular weight of 406.49 g/mol. Its IUPAC name is 2-methyl-N'-(thieno[3,2-b][1]benzothiole-2-carbonyl)imidazo[1,2-a]pyridine-3-carbohydrazide.

Molecular Properties

Compound Name2-methyl-N'-(thieno[3,2-b][1]benzothiole-2-carbonyl)imidazo[1,2-a]pyridine-3-carbohydrazide
PubChem CID24502809
Molecular FormulaC20H14N4O2S2
Molecular Weight406.49 g/mol
Exact Mass406.06
IUPAC Name2-methyl-N'-(thieno[3,2-b][1]benzothiole-2-carbonyl)imidazo[1,2-a]pyridine-3-carbohydrazide
SMILESCc1nc2ccccn2c1C(=O)NNC(=O)c1cc2sc3ccccc3c2s1
InChIInChI=1S/C20H14N4O2S2/c1-11-17(24-9-5-4-8-16(24)21-11)20(26)23-22-19(25)15-10-14-18(28-15)12-6-2-3-7-13(12)27-14/h2-10H,1H3,(H,22,25)(H,23,26)
InChIKeyWPGQVESRWJCUQB-UHFFFAOYSA-N
XLogP4.15
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(3,5-dinitrobenzoyl)-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide
CID 27699260
N'-[2-(1-methylbenzimidazol-2-yl)acetyl]thieno[3,2-b][1]benzothiole-2-carbohydrazide
CID 25351820
N-ethyl-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 789702
2-methyl-N'-(9-oxofluorene-2-carbonyl)imidazo[1,2-a]pyridine-3-carbohydrazide
CID 24619999
2-methyl-N'-(3-methylsulfanylpropanoyl)imidazo[1,2-a]pyridine-3-carbohydrazide
CID 24644397
2-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)imidazo[1,2-a]pyridine-3-carboxamide
CID 43952367
2-tert-butyl-4,5-dimethyl-N'-(2-methylimidazo[1,2-a]pyridine-3-carbonyl)thieno[2,3-d]pyrimidine-6-carbohydrazide
CID 24628588
1-[(2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]-3-(4-methylphenyl)thiourea
CID 10088570
2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)imidazo[1,2-a]pyridine-3-carboxamide
CID 43952298
2-cyclopropyl-4,5-dimethyl-N'-(2-methylimidazo[1,2-a]pyridine-3-carbonyl)thieno[2,3-d]pyrimidine-6-carbohydrazide
CID 24672221
N-(2-amino-2-methylpropyl)thieno[3,2-b][1]benzothiole-2-carboxamide;hydrochloride
CID 119629088
1-[(2S)-6-methylheptan-2-yl]-3-[(2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]urea
CID 51659196

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N'-(thieno[3,2-b][1]benzothiole-2-carbonyl)imidazo[1,2-a]pyridine-3-carbohydrazide?
The IUPAC name of 2-methyl-N'-(thieno[3,2-b][1]benzothiole-2-carbonyl)imidazo[1,2-a]pyridine-3-carbohydrazide (CID 24502809) is 2-methyl-N'-(thieno[3,2-b][1]benzothiole-2-carbonyl)imidazo[1,2-a]pyridine-3-carbohydrazide.
What is the SMILES notation for 2-methyl-N'-(thieno[3,2-b][1]benzothiole-2-carbonyl)imidazo[1,2-a]pyridine-3-carbohydrazide?
The canonical SMILES for 2-methyl-N'-(thieno[3,2-b][1]benzothiole-2-carbonyl)imidazo[1,2-a]pyridine-3-carbohydrazide is Cc1nc2ccccn2c1C(=O)NNC(=O)c1cc2sc3ccccc3c2s1.
What is the InChIKey of 2-methyl-N'-(thieno[3,2-b][1]benzothiole-2-carbonyl)imidazo[1,2-a]pyridine-3-carbohydrazide?
The InChIKey is WPGQVESRWJCUQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4O2S2/c1-11-17(24-9-5-4-8-16(24)21-11)20(26)23-22-19(25)15-10-14-18(28-15)12-6-2-3-7-13(12)27-14/h2-10H,1H3,(H,22,25)(H,23,26).
What are the key properties of 2-methyl-N'-(thieno[3,2-b][1]benzothiole-2-carbonyl)imidazo[1,2-a]pyridine-3-carbohydrazide?
2-methyl-N'-(thieno[3,2-b][1]benzothiole-2-carbonyl)imidazo[1,2-a]pyridine-3-carbohydrazide has a molecular weight of 406.49 g/mol, XLogP of 4.15, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-(thieno[3,2-b][1]benzothiole-2-carbonyl)imidazo[1,2-a]pyridine-3-carbohydrazide is sourced from PubChem (CID 24502809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).