N-[2-[(2E)-2-butan-2-ylidenehydrazinyl]-1,3-benzothiazol-5-yl]-2-methylpropanamide

C15H20N4OS — CID 95733392

IUPACN-[2-[(2E)-2-butan-2-ylidenehydrazinyl]-1,3-benzothiazol-5-yl]-2-methylpropanamide
SMILESCC/C(C)=N/Nc1nc2cc(NC(=O)C(C)C)ccc2s1
InChIInChI=1S/C15H20N4OS/c1-5-10(4)18-19-15-17-12-8-11(6-7-13(12)21-15)16-14(20)9(2)3/h6-9H,5H2,1-4H3,(H,16,20)(H,17,19)/b18-10+
InChIKeyWSPGAIAXYQDHJV-VCHYOVAHSA-N
MW304.42 g/mol
LogP4.09
Rot. Bonds5

About N-[2-[(2E)-2-butan-2-ylidenehydrazinyl]-1,3-benzothiazol-5-yl]-2-methylpropanamide

N-[2-[(2E)-2-butan-2-ylidenehydrazinyl]-1,3-benzothiazol-5-yl]-2-methylpropanamide (PubChem CID 95733392) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is N-[2-[(2E)-2-butan-2-ylidenehydrazinyl]-1,3-benzothiazol-5-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-[(2E)-2-butan-2-ylidenehydrazinyl]-1,3-benzothiazol-5-yl]-2-methylpropanamide
PubChem CID95733392
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC NameN-[2-[(2E)-2-butan-2-ylidenehydrazinyl]-1,3-benzothiazol-5-yl]-2-methylpropanamide
SMILESCC/C(C)=N/Nc1nc2cc(NC(=O)C(C)C)ccc2s1
InChIInChI=1S/C15H20N4OS/c1-5-10(4)18-19-15-17-12-8-11(6-7-13(12)21-15)16-14(20)9(2)3/h6-9H,5H2,1-4H3,(H,16,20)(H,17,19)/b18-10+
InChIKeyWSPGAIAXYQDHJV-VCHYOVAHSA-N
XLogP4.09
TPSA66.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 54.09
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-[(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-[(2E)-2-butan-2-ylidenehydrazinyl]-1,3-benzothiazol-5-yl]furan-2-carboxamide
CID 95733393
N-[2-(2-propan-2-ylidenehydrazinyl)-1,3-benzothiazol-5-yl]propanamide
CID 50882223
N-[2-[(2Z)-2-butan-2-ylidenehydrazinyl]-1,3-benzothiazol-6-yl]butanamide
CID 50882149
N-[2-[(2Z)-2-butan-2-ylidenehydrazinyl]-5,7-dimethyl-1,3-benzothiazol-6-yl]-2-methylpropanamide
CID 50880402
3-methyl-N-[2-(2-methylpropanoylamino)-1,3-benzothiazol-5-yl]butanamide
CID 46328771
N-(2-acetamido-1,3-benzothiazol-6-yl)-2-methylpropanamide
CID 46290994
3-bromo-N-[2-[(2Z)-2-butan-2-ylidenehydrazinyl]-1,3-benzothiazol-6-yl]benzamide
CID 50882010
N-[2-(2-propan-2-ylidenehydrazinyl)-1,3-benzothiazol-5-yl]benzamide
CID 50882100

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2E)-2-butan-2-ylidenehydrazinyl]-1,3-benzothiazol-5-yl]-2-methylpropanamide?
The IUPAC name of N-[2-[(2E)-2-butan-2-ylidenehydrazinyl]-1,3-benzothiazol-5-yl]-2-methylpropanamide (CID 95733392) is N-[2-[(2E)-2-butan-2-ylidenehydrazinyl]-1,3-benzothiazol-5-yl]-2-methylpropanamide.
What is the SMILES notation for N-[2-[(2E)-2-butan-2-ylidenehydrazinyl]-1,3-benzothiazol-5-yl]-2-methylpropanamide?
The canonical SMILES for N-[2-[(2E)-2-butan-2-ylidenehydrazinyl]-1,3-benzothiazol-5-yl]-2-methylpropanamide is CC/C(C)=N/Nc1nc2cc(NC(=O)C(C)C)ccc2s1.
What is the InChIKey of N-[2-[(2E)-2-butan-2-ylidenehydrazinyl]-1,3-benzothiazol-5-yl]-2-methylpropanamide?
The InChIKey is WSPGAIAXYQDHJV-VCHYOVAHSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-5-10(4)18-19-15-17-12-8-11(6-7-13(12)21-15)16-14(20)9(2)3/h6-9H,5H2,1-4H3,(H,16,20)(H,17,19)/b18-10+.
What are the key properties of N-[2-[(2E)-2-butan-2-ylidenehydrazinyl]-1,3-benzothiazol-5-yl]-2-methylpropanamide?
N-[2-[(2E)-2-butan-2-ylidenehydrazinyl]-1,3-benzothiazol-5-yl]-2-methylpropanamide has a molecular weight of 304.42 g/mol, XLogP of 4.09, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2E)-2-butan-2-ylidenehydrazinyl]-1,3-benzothiazol-5-yl]-2-methylpropanamide is sourced from PubChem (CID 95733392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).