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

C14H11ClN4OS — CID 50882049

IUPAC2-chloro-N-(2-hydrazinyl-1,3-benzothiazol-6-yl)benzamide
SMILESNNc1nc2ccc(NC(=O)c3ccccc3Cl)cc2s1
InChIInChI=1S/C14H11ClN4OS/c15-10-4-2-1-3-9(10)13(20)17-8-5-6-11-12(7-8)21-14(18-11)19-16/h1-7H,16H2,(H,17,20)(H,18,19)
InChIKeyOPWCWYMAVJZCKA-UHFFFAOYSA-N
MW318.79 g/mol
LogP3.49
Rot. Bonds3

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

2-chloro-N-(2-hydrazinyl-1,3-benzothiazol-6-yl)benzamide (PubChem CID 50882049) has the molecular formula C14H11ClN4OS and a molecular weight of 318.79 g/mol. Its IUPAC name is 2-chloro-N-(2-hydrazinyl-1,3-benzothiazol-6-yl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(2-hydrazinyl-1,3-benzothiazol-6-yl)benzamide
PubChem CID50882049
Molecular FormulaC14H11ClN4OS
Molecular Weight318.79 g/mol
Exact Mass318.03
IUPAC Name2-chloro-N-(2-hydrazinyl-1,3-benzothiazol-6-yl)benzamide
SMILESNNc1nc2ccc(NC(=O)c3ccccc3Cl)cc2s1
InChIInChI=1S/C14H11ClN4OS/c15-10-4-2-1-3-9(10)13(20)17-8-5-6-11-12(7-8)21-14(18-11)19-16/h1-7H,16H2,(H,17,20)(H,18,19)
InChIKeyOPWCWYMAVJZCKA-UHFFFAOYSA-N
XLogP3.49
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.79
LogP ≤ 53.49
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-(2-hydrazinyl-1,3-benzothiazol-6-yl)naphthalene-1-carboxamide
CID 91680673
N-(2-benzylsulfanyl-1,3-benzothiazol-6-yl)-2-chlorobenzamide
CID 3542038
1-N,2-N-bis(6-chloro-1,3-benzothiazol-2-yl)benzene-1,2-dicarboxamide
CID 4651435
2-chloro-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)benzamide
CID 7524836
2-bromo-N-[2-(methanesulfonamido)-1,3-benzothiazol-6-yl]benzamide
CID 46291167
N-(2-acetamido-1,3-benzothiazol-6-yl)-5-chloro-2-fluorobenzamide
CID 55769791
N-[6-[(2-chlorophenyl)carbamoylamino]-1,3-benzothiazol-2-yl]acetamide
CID 46325782
N-[2-[(4-tert-butylphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-2-chlorobenzamide
CID 4546732
N-[2-[(2E)-2-butan-2-ylidenehydrazinyl]-1,3-benzothiazol-5-yl]-2-chlorobenzamide
CID 95733411
N-[2-(naphthalene-2-carbonylamino)-1,3-benzothiazol-6-yl]naphthalene-2-carboxamide
CID 4025738
2-chloro-N-[2-[2-(2-methylanilino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide
CID 46264043
5-bromo-2-chloro-N-[2-(propanoylamino)-1,3-benzothiazol-6-yl]benzamide
CID 17313481

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-hydrazinyl-1,3-benzothiazol-6-yl)benzamide?
The IUPAC name of 2-chloro-N-(2-hydrazinyl-1,3-benzothiazol-6-yl)benzamide (CID 50882049) is 2-chloro-N-(2-hydrazinyl-1,3-benzothiazol-6-yl)benzamide.
What is the SMILES notation for 2-chloro-N-(2-hydrazinyl-1,3-benzothiazol-6-yl)benzamide?
The canonical SMILES for 2-chloro-N-(2-hydrazinyl-1,3-benzothiazol-6-yl)benzamide is NNc1nc2ccc(NC(=O)c3ccccc3Cl)cc2s1.
What is the InChIKey of 2-chloro-N-(2-hydrazinyl-1,3-benzothiazol-6-yl)benzamide?
The InChIKey is OPWCWYMAVJZCKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4OS/c15-10-4-2-1-3-9(10)13(20)17-8-5-6-11-12(7-8)21-14(18-11)19-16/h1-7H,16H2,(H,17,20)(H,18,19).
What are the key properties of 2-chloro-N-(2-hydrazinyl-1,3-benzothiazol-6-yl)benzamide?
2-chloro-N-(2-hydrazinyl-1,3-benzothiazol-6-yl)benzamide has a molecular weight of 318.79 g/mol, XLogP of 3.49, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-hydrazinyl-1,3-benzothiazol-6-yl)benzamide is sourced from PubChem (CID 50882049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).