N-(2-hydrazinyl-4-methyl-1,3-benzothiazol-6-yl)-2,2-dimethylpropanamide

C13H18N4OS — CID 91680364

IUPACN-(2-hydrazinyl-4-methyl-1,3-benzothiazol-6-yl)-2,2-dimethylpropanamide
SMILESCc1cc(NC(=O)C(C)(C)C)cc2sc(NN)nc12
InChIInChI=1S/C13H18N4OS/c1-7-5-8(15-11(18)13(2,3)4)6-9-10(7)16-12(17-14)19-9/h5-6H,14H2,1-4H3,(H,15,18)(H,16,17)
InChIKeyRGWWIHHXCCJLDM-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.87
Rot. Bonds2

About N-(2-hydrazinyl-4-methyl-1,3-benzothiazol-6-yl)-2,2-dimethylpropanamide

N-(2-hydrazinyl-4-methyl-1,3-benzothiazol-6-yl)-2,2-dimethylpropanamide (PubChem CID 91680364) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is N-(2-hydrazinyl-4-methyl-1,3-benzothiazol-6-yl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(2-hydrazinyl-4-methyl-1,3-benzothiazol-6-yl)-2,2-dimethylpropanamide
PubChem CID91680364
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC NameN-(2-hydrazinyl-4-methyl-1,3-benzothiazol-6-yl)-2,2-dimethylpropanamide
SMILESCc1cc(NC(=O)C(C)(C)C)cc2sc(NN)nc12
InChIInChI=1S/C13H18N4OS/c1-7-5-8(15-11(18)13(2,3)4)6-9-10(7)16-12(17-14)19-9/h5-6H,14H2,1-4H3,(H,15,18)(H,16,17)
InChIKeyRGWWIHHXCCJLDM-UHFFFAOYSA-N
XLogP2.87
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chlorophenoxy)-N-(2-hydrazinyl-4-methyl-1,3-benzothiazol-6-yl)-2-methylpropanamide
CID 91680974
4-fluoro-N-(2-hydrazinyl-4-methyl-1,3-benzothiazol-6-yl)benzamide
CID 91680520
2-bromo-N-(2-hydrazinyl-4-methyl-1,3-benzothiazol-6-yl)benzamide
CID 91680506
N-(2-hydrazinyl-4-methyl-1,3-benzothiazol-6-yl)-4-propan-2-ylbenzamide
CID 91680411
(2S)-2-(2,4-dichlorophenoxy)-N-(2-hydrazinyl-4-methyl-1,3-benzothiazol-6-yl)propanamide
CID 99966912
N-(4-bromo-2-hydrazinyl-1,3-benzothiazol-6-yl)-2-(4-chlorophenoxy)-2-methylpropanamide
CID 91680976
1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-(3,5-dimethylphenyl)urea
CID 121080315
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2,2,2-trifluoroacetamide
CID 17334899
[2-[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 2,2-dimethylpropanoate
CID 23790582
N-[2-(2,2-dimethylpropanoylamino)-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]-2,2-dimethylpropanamide
CID 51370683
N-(4-chloro-2-hydrazinyl-1,3-benzothiazol-6-yl)-3-methylbenzamide
CID 91680436
N-[6-[(2,4-dimethylphenyl)carbamoylamino]-4-methyl-1,3-benzothiazol-2-yl]acetamide
CID 46325920

Frequently Asked Questions

What is the IUPAC name of N-(2-hydrazinyl-4-methyl-1,3-benzothiazol-6-yl)-2,2-dimethylpropanamide?
The IUPAC name of N-(2-hydrazinyl-4-methyl-1,3-benzothiazol-6-yl)-2,2-dimethylpropanamide (CID 91680364) is N-(2-hydrazinyl-4-methyl-1,3-benzothiazol-6-yl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(2-hydrazinyl-4-methyl-1,3-benzothiazol-6-yl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(2-hydrazinyl-4-methyl-1,3-benzothiazol-6-yl)-2,2-dimethylpropanamide is Cc1cc(NC(=O)C(C)(C)C)cc2sc(NN)nc12.
What is the InChIKey of N-(2-hydrazinyl-4-methyl-1,3-benzothiazol-6-yl)-2,2-dimethylpropanamide?
The InChIKey is RGWWIHHXCCJLDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS/c1-7-5-8(15-11(18)13(2,3)4)6-9-10(7)16-12(17-14)19-9/h5-6H,14H2,1-4H3,(H,15,18)(H,16,17).
What are the key properties of N-(2-hydrazinyl-4-methyl-1,3-benzothiazol-6-yl)-2,2-dimethylpropanamide?
N-(2-hydrazinyl-4-methyl-1,3-benzothiazol-6-yl)-2,2-dimethylpropanamide has a molecular weight of 278.38 g/mol, XLogP of 2.87, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydrazinyl-4-methyl-1,3-benzothiazol-6-yl)-2,2-dimethylpropanamide is sourced from PubChem (CID 91680364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).