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

C18H20N4OS — CID 91680411

IUPACN-(2-hydrazinyl-4-methyl-1,3-benzothiazol-6-yl)-4-propan-2-ylbenzamide
SMILESCc1cc(NC(=O)c2ccc(C(C)C)cc2)cc2sc(NN)nc12
InChIInChI=1S/C18H20N4OS/c1-10(2)12-4-6-13(7-5-12)17(23)20-14-8-11(3)16-15(9-14)24-18(21-16)22-19/h4-10H,19H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyBKGVAOBFIYKFSS-UHFFFAOYSA-N
MW340.45 g/mol
LogP4.27
Rot. Bonds4

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

N-(2-hydrazinyl-4-methyl-1,3-benzothiazol-6-yl)-4-propan-2-ylbenzamide (PubChem CID 91680411) has the molecular formula C18H20N4OS and a molecular weight of 340.45 g/mol. Its IUPAC name is N-(2-hydrazinyl-4-methyl-1,3-benzothiazol-6-yl)-4-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-(2-hydrazinyl-4-methyl-1,3-benzothiazol-6-yl)-4-propan-2-ylbenzamide
PubChem CID91680411
Molecular FormulaC18H20N4OS
Molecular Weight340.45 g/mol
Exact Mass340.14
IUPAC NameN-(2-hydrazinyl-4-methyl-1,3-benzothiazol-6-yl)-4-propan-2-ylbenzamide
SMILESCc1cc(NC(=O)c2ccc(C(C)C)cc2)cc2sc(NN)nc12
InChIInChI=1S/C18H20N4OS/c1-10(2)12-4-6-13(7-5-12)17(23)20-14-8-11(3)16-15(9-14)24-18(21-16)22-19/h4-10H,19H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyBKGVAOBFIYKFSS-UHFFFAOYSA-N
XLogP4.27
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 54.27
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

4-fluoro-N-(2-hydrazinyl-4-methyl-1,3-benzothiazol-6-yl)benzamide
CID 91680520
N-(2-hydrazinyl-4-methyl-1,3-benzothiazol-6-yl)-2,2-dimethylpropanamide
CID 91680364
2-bromo-N-(2-hydrazinyl-4-methyl-1,3-benzothiazol-6-yl)benzamide
CID 91680506
N-(4-chloro-2-hydrazinyl-1,3-benzothiazol-6-yl)-4-methoxybenzamide
CID 91680598
4-bromo-N-(4-chloro-2-hydrazinyl-1,3-benzothiazol-6-yl)benzamide
CID 91680524
N-(2-acetamido-4-methyl-1,3-benzothiazol-6-yl)-4-nitrobenzamide
CID 4059054
N-(4-chloro-2-hydrazinyl-1,3-benzothiazol-6-yl)-3-methylbenzamide
CID 91680436
N-(4-bromo-2-hydrazinyl-1,3-benzothiazol-6-yl)-4-phenylbenzamide
CID 91680445
N-[4-methyl-6-(3-methylbutanoylamino)-1,3-benzothiazol-2-yl]benzamide
CID 46291137
(2S)-2-(2,4-dichlorophenoxy)-N-(2-hydrazinyl-4-methyl-1,3-benzothiazol-6-yl)propanamide
CID 99966912
2-(4-chlorophenoxy)-N-(2-hydrazinyl-4-methyl-1,3-benzothiazol-6-yl)-2-methylpropanamide
CID 91680974
N-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-4-ethylbenzamide
CID 91680418

Frequently Asked Questions

What is the IUPAC name of N-(2-hydrazinyl-4-methyl-1,3-benzothiazol-6-yl)-4-propan-2-ylbenzamide?
The IUPAC name of N-(2-hydrazinyl-4-methyl-1,3-benzothiazol-6-yl)-4-propan-2-ylbenzamide (CID 91680411) is N-(2-hydrazinyl-4-methyl-1,3-benzothiazol-6-yl)-4-propan-2-ylbenzamide.
What is the SMILES notation for N-(2-hydrazinyl-4-methyl-1,3-benzothiazol-6-yl)-4-propan-2-ylbenzamide?
The canonical SMILES for N-(2-hydrazinyl-4-methyl-1,3-benzothiazol-6-yl)-4-propan-2-ylbenzamide is Cc1cc(NC(=O)c2ccc(C(C)C)cc2)cc2sc(NN)nc12.
What is the InChIKey of N-(2-hydrazinyl-4-methyl-1,3-benzothiazol-6-yl)-4-propan-2-ylbenzamide?
The InChIKey is BKGVAOBFIYKFSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4OS/c1-10(2)12-4-6-13(7-5-12)17(23)20-14-8-11(3)16-15(9-14)24-18(21-16)22-19/h4-10H,19H2,1-3H3,(H,20,23)(H,21,22).
What are the key properties of N-(2-hydrazinyl-4-methyl-1,3-benzothiazol-6-yl)-4-propan-2-ylbenzamide?
N-(2-hydrazinyl-4-methyl-1,3-benzothiazol-6-yl)-4-propan-2-ylbenzamide has a molecular weight of 340.45 g/mol, XLogP of 4.27, 4 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)-4-propan-2-ylbenzamide is sourced from PubChem (CID 91680411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).