N-[2-(2-propan-2-ylidenehydrazinyl)-1,3-benzothiazol-5-yl]benzamide

C17H16N4OS — CID 50882100

IUPACN-[2-(2-propan-2-ylidenehydrazinyl)-1,3-benzothiazol-5-yl]benzamide
SMILESCC(C)=NNc1nc2cc(NC(=O)c3ccccc3)ccc2s1
InChIInChI=1S/C17H16N4OS/c1-11(2)20-21-17-19-14-10-13(8-9-15(14)23-17)18-16(22)12-6-4-3-5-7-12/h3-10H,1-2H3,(H,18,22)(H,19,21)
InChIKeyJMPYENDSBFGSJM-UHFFFAOYSA-N
MW324.41 g/mol
LogP4.36
Rot. Bonds4

About N-[2-(2-propan-2-ylidenehydrazinyl)-1,3-benzothiazol-5-yl]benzamide

N-[2-(2-propan-2-ylidenehydrazinyl)-1,3-benzothiazol-5-yl]benzamide (PubChem CID 50882100) has the molecular formula C17H16N4OS and a molecular weight of 324.41 g/mol. Its IUPAC name is N-[2-(2-propan-2-ylidenehydrazinyl)-1,3-benzothiazol-5-yl]benzamide.

Molecular Properties

Compound NameN-[2-(2-propan-2-ylidenehydrazinyl)-1,3-benzothiazol-5-yl]benzamide
PubChem CID50882100
Molecular FormulaC17H16N4OS
Molecular Weight324.41 g/mol
Exact Mass324.10
IUPAC NameN-[2-(2-propan-2-ylidenehydrazinyl)-1,3-benzothiazol-5-yl]benzamide
SMILESCC(C)=NNc1nc2cc(NC(=O)c3ccccc3)ccc2s1
InChIInChI=1S/C17H16N4OS/c1-11(2)20-21-17-19-14-10-13(8-9-15(14)23-17)18-16(22)12-6-4-3-5-7-12/h3-10H,1-2H3,(H,18,22)(H,19,21)
InChIKeyJMPYENDSBFGSJM-UHFFFAOYSA-N
XLogP4.36
TPSA66.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(2E)-2-butan-2-ylidenehydrazinyl]-1,3-benzothiazol-5-yl]benzamide
CID 95733400
N-[2-(2-propan-2-ylidenehydrazinyl)-1,3-benzothiazol-5-yl]propanamide
CID 50882223
N-[2-(2-propan-2-ylidenehydrazinyl)-1,3-benzothiazol-6-yl]acetamide
CID 50882316
N-[2-[(2Z)-2-butan-2-ylidenehydrazinyl]-1,3-benzothiazol-5-yl]-4-tert-butylbenzamide
CID 50882033
N-[2-[(2Z)-2-butan-2-ylidenehydrazinyl]-1,3-benzothiazol-5-yl]-3-chlorobenzamide
CID 50881984
N-[2-[(2E)-2-butan-2-ylidenehydrazinyl]-1,3-benzothiazol-5-yl]-2-chlorobenzamide
CID 95733411
N-(2-acetamido-1,3-benzothiazol-5-yl)-3-chlorobenzamide
CID 46328625
N-[2-[(2E)-2-butan-2-ylidenehydrazinyl]-1,3-benzothiazol-5-yl]furan-2-carboxamide
CID 95733393
N-[2-(3,5-dimethylpyrazol-1-yl)-1,3-benzothiazol-5-yl]benzamide
CID 50882099
2-methyl-N-[2-[(4-methylbenzoyl)amino]-1,3-benzothiazol-5-yl]benzamide
CID 46328829
N-[5-[(2,3-dimethylphenyl)carbamoylamino]-1,3-benzothiazol-2-yl]benzamide
CID 46385355
N-(2-acetamido-1,3-benzothiazol-5-yl)-2-methylbenzamide
CID 46328641

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-propan-2-ylidenehydrazinyl)-1,3-benzothiazol-5-yl]benzamide?
The IUPAC name of N-[2-(2-propan-2-ylidenehydrazinyl)-1,3-benzothiazol-5-yl]benzamide (CID 50882100) is N-[2-(2-propan-2-ylidenehydrazinyl)-1,3-benzothiazol-5-yl]benzamide.
What is the SMILES notation for N-[2-(2-propan-2-ylidenehydrazinyl)-1,3-benzothiazol-5-yl]benzamide?
The canonical SMILES for N-[2-(2-propan-2-ylidenehydrazinyl)-1,3-benzothiazol-5-yl]benzamide is CC(C)=NNc1nc2cc(NC(=O)c3ccccc3)ccc2s1.
What is the InChIKey of N-[2-(2-propan-2-ylidenehydrazinyl)-1,3-benzothiazol-5-yl]benzamide?
The InChIKey is JMPYENDSBFGSJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4OS/c1-11(2)20-21-17-19-14-10-13(8-9-15(14)23-17)18-16(22)12-6-4-3-5-7-12/h3-10H,1-2H3,(H,18,22)(H,19,21).
What are the key properties of N-[2-(2-propan-2-ylidenehydrazinyl)-1,3-benzothiazol-5-yl]benzamide?
N-[2-(2-propan-2-ylidenehydrazinyl)-1,3-benzothiazol-5-yl]benzamide has a molecular weight of 324.41 g/mol, XLogP of 4.36, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-propan-2-ylidenehydrazinyl)-1,3-benzothiazol-5-yl]benzamide is sourced from PubChem (CID 50882100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).