N-(4-chloro-2-hydrazinyl-1,3-benzothiazol-6-yl)-4-methoxybenzamide

C15H13ClN4O2S — CID 91680598

IUPACN-(4-chloro-2-hydrazinyl-1,3-benzothiazol-6-yl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc(Cl)c3nc(NN)sc3c2)cc1
InChIInChI=1S/C15H13ClN4O2S/c1-22-10-4-2-8(3-5-10)14(21)18-9-6-11(16)13-12(7-9)23-15(19-13)20-17/h2-7H,17H2,1H3,(H,18,21)(H,19,20)
InChIKeyMJAJAEHLSIFNAO-UHFFFAOYSA-N
MW348.82 g/mol
LogP3.50
Rot. Bonds4

About N-(4-chloro-2-hydrazinyl-1,3-benzothiazol-6-yl)-4-methoxybenzamide

N-(4-chloro-2-hydrazinyl-1,3-benzothiazol-6-yl)-4-methoxybenzamide (PubChem CID 91680598) has the molecular formula C15H13ClN4O2S and a molecular weight of 348.82 g/mol. Its IUPAC name is N-(4-chloro-2-hydrazinyl-1,3-benzothiazol-6-yl)-4-methoxybenzamide.

Molecular Properties

Compound NameN-(4-chloro-2-hydrazinyl-1,3-benzothiazol-6-yl)-4-methoxybenzamide
PubChem CID91680598
Molecular FormulaC15H13ClN4O2S
Molecular Weight348.82 g/mol
Exact Mass348.04
IUPAC NameN-(4-chloro-2-hydrazinyl-1,3-benzothiazol-6-yl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc(Cl)c3nc(NN)sc3c2)cc1
InChIInChI=1S/C15H13ClN4O2S/c1-22-10-4-2-8(3-5-10)14(21)18-9-6-11(16)13-12(7-9)23-15(19-13)20-17/h2-7H,17H2,1H3,(H,18,21)(H,19,20)
InChIKeyMJAJAEHLSIFNAO-UHFFFAOYSA-N
XLogP3.50
TPSA89.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.82
LogP ≤ 53.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-bromo-N-(4-chloro-2-hydrazinyl-1,3-benzothiazol-6-yl)benzamide
CID 91680524
N-(4-chloro-2-hydrazinyl-1,3-benzothiazol-6-yl)-3,4,5-trimethoxybenzamide
CID 91680619
N-(4-chloro-2-hydrazinyl-1,3-benzothiazol-6-yl)-3-methylbenzamide
CID 91680436
N-(4-bromo-2-hydrazinyl-1,3-benzothiazol-6-yl)-3,5-dichloro-4-methoxybenzamide
CID 91680670
N-(2-hydrazinyl-4-methyl-1,3-benzothiazol-6-yl)-4-propan-2-ylbenzamide
CID 91680411
N-(4-chloro-2-hydrazinyl-1,3-benzothiazol-6-yl)furan-2-carboxamide
CID 91680643
4-fluoro-N-(2-hydrazinyl-4-methyl-1,3-benzothiazol-6-yl)benzamide
CID 91680520
N-(3,5-dichloro-4-hydroxyphenyl)-4-methoxybenzamide
CID 1254136
N-(4-bromo-2-hydrazinyl-1,3-benzothiazol-6-yl)-2-(4-chlorophenoxy)-2-methylpropanamide
CID 91680976
N-(2-amino-4-chloro-1,3-benzothiazol-6-yl)-4-fluorobenzamide
CID 91680533
N-(4-bromo-2-hydrazinyl-1,3-benzothiazol-6-yl)-4-phenylbenzamide
CID 91680445
2-(4-chlorophenoxy)-N-(2-hydrazinyl-4-methyl-1,3-benzothiazol-6-yl)-2-methylpropanamide
CID 91680974

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-hydrazinyl-1,3-benzothiazol-6-yl)-4-methoxybenzamide?
The IUPAC name of N-(4-chloro-2-hydrazinyl-1,3-benzothiazol-6-yl)-4-methoxybenzamide (CID 91680598) is N-(4-chloro-2-hydrazinyl-1,3-benzothiazol-6-yl)-4-methoxybenzamide.
What is the SMILES notation for N-(4-chloro-2-hydrazinyl-1,3-benzothiazol-6-yl)-4-methoxybenzamide?
The canonical SMILES for N-(4-chloro-2-hydrazinyl-1,3-benzothiazol-6-yl)-4-methoxybenzamide is COc1ccc(C(=O)Nc2cc(Cl)c3nc(NN)sc3c2)cc1.
What is the InChIKey of N-(4-chloro-2-hydrazinyl-1,3-benzothiazol-6-yl)-4-methoxybenzamide?
The InChIKey is MJAJAEHLSIFNAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4O2S/c1-22-10-4-2-8(3-5-10)14(21)18-9-6-11(16)13-12(7-9)23-15(19-13)20-17/h2-7H,17H2,1H3,(H,18,21)(H,19,20).
What are the key properties of N-(4-chloro-2-hydrazinyl-1,3-benzothiazol-6-yl)-4-methoxybenzamide?
N-(4-chloro-2-hydrazinyl-1,3-benzothiazol-6-yl)-4-methoxybenzamide has a molecular weight of 348.82 g/mol, XLogP of 3.50, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-hydrazinyl-1,3-benzothiazol-6-yl)-4-methoxybenzamide is sourced from PubChem (CID 91680598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).