2-methyl-N'-(naphthalene-1-carbonyl)imidazo[2,1-b][1,3]benzothiazole-1-carbohydrazide

C22H16N4O2S — CID 127041668

IUPAC2-methyl-N'-(naphthalene-1-carbonyl)imidazo[2,1-b][1,3]benzothiazole-1-carbohydrazide
SMILESCc1nc2sc3ccccc3n2c1C(=O)NNC(=O)c1cccc2ccccc12
InChIInChI=1S/C22H16N4O2S/c1-13-19(26-17-11-4-5-12-18(17)29-22(26)23-13)21(28)25-24-20(27)16-10-6-8-14-7-2-3-9-15(14)16/h2-12H,1H3,(H,24,27)(H,25,28)
InChIKeyAKXHWCLXOSTCDN-UHFFFAOYSA-N
MW400.46 g/mol
LogP4.09
Rot. Bonds2

About 2-methyl-N'-(naphthalene-1-carbonyl)imidazo[2,1-b][1,3]benzothiazole-1-carbohydrazide

2-methyl-N'-(naphthalene-1-carbonyl)imidazo[2,1-b][1,3]benzothiazole-1-carbohydrazide (PubChem CID 127041668) has the molecular formula C22H16N4O2S and a molecular weight of 400.46 g/mol. Its IUPAC name is 2-methyl-N'-(naphthalene-1-carbonyl)imidazo[2,1-b][1,3]benzothiazole-1-carbohydrazide.

Molecular Properties

Compound Name2-methyl-N'-(naphthalene-1-carbonyl)imidazo[2,1-b][1,3]benzothiazole-1-carbohydrazide
PubChem CID127041668
Molecular FormulaC22H16N4O2S
Molecular Weight400.46 g/mol
Exact Mass400.10
IUPAC Name2-methyl-N'-(naphthalene-1-carbonyl)imidazo[2,1-b][1,3]benzothiazole-1-carbohydrazide
SMILESCc1nc2sc3ccccc3n2c1C(=O)NNC(=O)c1cccc2ccccc12
InChIInChI=1S/C22H16N4O2S/c1-13-19(26-17-11-4-5-12-18(17)29-22(26)23-13)21(28)25-24-20(27)16-10-6-8-14-7-2-3-9-15(14)16/h2-12H,1H3,(H,24,27)(H,25,28)
InChIKeyAKXHWCLXOSTCDN-UHFFFAOYSA-N
XLogP4.09
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N'-(naphthalene-1-carbonyl)imidazo[2,1-b][1,3]benzothiazole-1-carbohydrazide?
The IUPAC name of 2-methyl-N'-(naphthalene-1-carbonyl)imidazo[2,1-b][1,3]benzothiazole-1-carbohydrazide (CID 127041668) is 2-methyl-N'-(naphthalene-1-carbonyl)imidazo[2,1-b][1,3]benzothiazole-1-carbohydrazide.
What is the SMILES notation for 2-methyl-N'-(naphthalene-1-carbonyl)imidazo[2,1-b][1,3]benzothiazole-1-carbohydrazide?
The canonical SMILES for 2-methyl-N'-(naphthalene-1-carbonyl)imidazo[2,1-b][1,3]benzothiazole-1-carbohydrazide is Cc1nc2sc3ccccc3n2c1C(=O)NNC(=O)c1cccc2ccccc12.
What is the InChIKey of 2-methyl-N'-(naphthalene-1-carbonyl)imidazo[2,1-b][1,3]benzothiazole-1-carbohydrazide?
The InChIKey is AKXHWCLXOSTCDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N4O2S/c1-13-19(26-17-11-4-5-12-18(17)29-22(26)23-13)21(28)25-24-20(27)16-10-6-8-14-7-2-3-9-15(14)16/h2-12H,1H3,(H,24,27)(H,25,28).
What are the key properties of 2-methyl-N'-(naphthalene-1-carbonyl)imidazo[2,1-b][1,3]benzothiazole-1-carbohydrazide?
2-methyl-N'-(naphthalene-1-carbonyl)imidazo[2,1-b][1,3]benzothiazole-1-carbohydrazide has a molecular weight of 400.46 g/mol, XLogP of 4.09, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-(naphthalene-1-carbonyl)imidazo[2,1-b][1,3]benzothiazole-1-carbohydrazide is sourced from PubChem (CID 127041668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).