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

C15H13ClN4OS — CID 91680436

IUPACN-(4-chloro-2-hydrazinyl-1,3-benzothiazol-6-yl)-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2cc(Cl)c3nc(NN)sc3c2)c1
InChIInChI=1S/C15H13ClN4OS/c1-8-3-2-4-9(5-8)14(21)18-10-6-11(16)13-12(7-10)22-15(19-13)20-17/h2-7H,17H2,1H3,(H,18,21)(H,19,20)
InChIKeyPNMHLSNNDUOECR-UHFFFAOYSA-N
MW332.82 g/mol
LogP3.80
Rot. Bonds3

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

N-(4-chloro-2-hydrazinyl-1,3-benzothiazol-6-yl)-3-methylbenzamide (PubChem CID 91680436) has the molecular formula C15H13ClN4OS and a molecular weight of 332.82 g/mol. Its IUPAC name is N-(4-chloro-2-hydrazinyl-1,3-benzothiazol-6-yl)-3-methylbenzamide.

Molecular Properties

Compound NameN-(4-chloro-2-hydrazinyl-1,3-benzothiazol-6-yl)-3-methylbenzamide
PubChem CID91680436
Molecular FormulaC15H13ClN4OS
Molecular Weight332.82 g/mol
Exact Mass332.05
IUPAC NameN-(4-chloro-2-hydrazinyl-1,3-benzothiazol-6-yl)-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2cc(Cl)c3nc(NN)sc3c2)c1
InChIInChI=1S/C15H13ClN4OS/c1-8-3-2-4-9(5-8)14(21)18-10-6-11(16)13-12(7-10)22-15(19-13)20-17/h2-7H,17H2,1H3,(H,18,21)(H,19,20)
InChIKeyPNMHLSNNDUOECR-UHFFFAOYSA-N
XLogP3.80
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.82
LogP ≤ 53.80
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

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-(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)furan-2-carboxamide
CID 91680643
N-(2-hydrazinyl-4-methyl-1,3-benzothiazol-6-yl)-4-propan-2-ylbenzamide
CID 91680411
N-(2-amino-1,3-benzothiazol-6-yl)-3-methylbenzamide
CID 50882009
4-fluoro-N-(2-hydrazinyl-4-methyl-1,3-benzothiazol-6-yl)benzamide
CID 91680520
N-(4-bromo-2-hydrazinyl-1,3-benzothiazol-6-yl)-3,5-dichloro-4-methoxybenzamide
CID 91680670
N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)-3-methylbenzamide
CID 960429
N-(3-chloro-4-methylphenyl)-3-methylbenzamide
CID 710448
2-chloro-N-(2-hydrazinyl-1,3-benzothiazol-6-yl)benzamide
CID 50882049
N-(4-bromo-2-hydrazinyl-1,3-benzothiazol-6-yl)-4-phenylbenzamide
CID 91680445

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-hydrazinyl-1,3-benzothiazol-6-yl)-3-methylbenzamide?
The IUPAC name of N-(4-chloro-2-hydrazinyl-1,3-benzothiazol-6-yl)-3-methylbenzamide (CID 91680436) is N-(4-chloro-2-hydrazinyl-1,3-benzothiazol-6-yl)-3-methylbenzamide.
What is the SMILES notation for N-(4-chloro-2-hydrazinyl-1,3-benzothiazol-6-yl)-3-methylbenzamide?
The canonical SMILES for N-(4-chloro-2-hydrazinyl-1,3-benzothiazol-6-yl)-3-methylbenzamide is Cc1cccc(C(=O)Nc2cc(Cl)c3nc(NN)sc3c2)c1.
What is the InChIKey of N-(4-chloro-2-hydrazinyl-1,3-benzothiazol-6-yl)-3-methylbenzamide?
The InChIKey is PNMHLSNNDUOECR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4OS/c1-8-3-2-4-9(5-8)14(21)18-10-6-11(16)13-12(7-10)22-15(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)-3-methylbenzamide?
N-(4-chloro-2-hydrazinyl-1,3-benzothiazol-6-yl)-3-methylbenzamide has a molecular weight of 332.82 g/mol, XLogP of 3.80, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-hydrazinyl-1,3-benzothiazol-6-yl)-3-methylbenzamide is sourced from PubChem (CID 91680436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).