N-(2-hydrazinyl-1,3-benzothiazol-6-yl)naphthalene-1-carboxamide

C18H14N4OS — CID 91680673

IUPACN-(2-hydrazinyl-1,3-benzothiazol-6-yl)naphthalene-1-carboxamide
SMILESNNc1nc2ccc(NC(=O)c3cccc4ccccc34)cc2s1
InChIInChI=1S/C18H14N4OS/c19-22-18-21-15-9-8-12(10-16(15)24-18)20-17(23)14-7-3-5-11-4-1-2-6-13(11)14/h1-10H,19H2,(H,20,23)(H,21,22)
InChIKeyHVMCNFXIZHNYHA-UHFFFAOYSA-N
MW334.40 g/mol
LogP3.99
Rot. Bonds3

About N-(2-hydrazinyl-1,3-benzothiazol-6-yl)naphthalene-1-carboxamide

N-(2-hydrazinyl-1,3-benzothiazol-6-yl)naphthalene-1-carboxamide (PubChem CID 91680673) has the molecular formula C18H14N4OS and a molecular weight of 334.40 g/mol. Its IUPAC name is N-(2-hydrazinyl-1,3-benzothiazol-6-yl)naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(2-hydrazinyl-1,3-benzothiazol-6-yl)naphthalene-1-carboxamide
PubChem CID91680673
Molecular FormulaC18H14N4OS
Molecular Weight334.40 g/mol
Exact Mass334.09
IUPAC NameN-(2-hydrazinyl-1,3-benzothiazol-6-yl)naphthalene-1-carboxamide
SMILESNNc1nc2ccc(NC(=O)c3cccc4ccccc34)cc2s1
InChIInChI=1S/C18H14N4OS/c19-22-18-21-15-9-8-12(10-16(15)24-18)20-17(23)14-7-3-5-11-4-1-2-6-13(11)14/h1-10H,19H2,(H,20,23)(H,21,22)
InChIKeyHVMCNFXIZHNYHA-UHFFFAOYSA-N
XLogP3.99
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 53.99
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-chloro-N-(2-hydrazinyl-1,3-benzothiazol-6-yl)benzamide
CID 50882049
N-[6-(naphthalene-1-carbonylamino)-1,3-benzothiazol-2-yl]furan-2-carboxamide
CID 17127363
N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)naphthalene-1-carboxamide
CID 1040773
N-[2-(2-anilino-2-oxoethyl)sulfanyl-1,3-benzothiazol-6-yl]naphthalene-1-carboxamide
CID 1040778
N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)naphthalene-1-carboxamide
CID 9405180
N-(6-propoxy-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide
CID 19213736
N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]naphthalene-1-carboxamide
CID 3100049
N-[2-[2-(cyclopropylamino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]naphthalene-1-carboxamide
CID 1251731
N-[2-(butanoylamino)-1,3-benzothiazol-6-yl]-2-methoxy-3-methylbenzamide
CID 19629659
N-(2-acetamido-1,3-benzothiazol-6-yl)-2-methylquinoline-4-carboxamide
CID 60557428
N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide
CID 4502392
N-[(6-fluoro-1,3-benzothiazol-2-yl)carbamothioyl]naphthalene-1-carboxamide
CID 1421918

Frequently Asked Questions

What is the IUPAC name of N-(2-hydrazinyl-1,3-benzothiazol-6-yl)naphthalene-1-carboxamide?
The IUPAC name of N-(2-hydrazinyl-1,3-benzothiazol-6-yl)naphthalene-1-carboxamide (CID 91680673) is N-(2-hydrazinyl-1,3-benzothiazol-6-yl)naphthalene-1-carboxamide.
What is the SMILES notation for N-(2-hydrazinyl-1,3-benzothiazol-6-yl)naphthalene-1-carboxamide?
The canonical SMILES for N-(2-hydrazinyl-1,3-benzothiazol-6-yl)naphthalene-1-carboxamide is NNc1nc2ccc(NC(=O)c3cccc4ccccc34)cc2s1.
What is the InChIKey of N-(2-hydrazinyl-1,3-benzothiazol-6-yl)naphthalene-1-carboxamide?
The InChIKey is HVMCNFXIZHNYHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4OS/c19-22-18-21-15-9-8-12(10-16(15)24-18)20-17(23)14-7-3-5-11-4-1-2-6-13(11)14/h1-10H,19H2,(H,20,23)(H,21,22).
What are the key properties of N-(2-hydrazinyl-1,3-benzothiazol-6-yl)naphthalene-1-carboxamide?
N-(2-hydrazinyl-1,3-benzothiazol-6-yl)naphthalene-1-carboxamide has a molecular weight of 334.40 g/mol, XLogP of 3.99, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydrazinyl-1,3-benzothiazol-6-yl)naphthalene-1-carboxamide is sourced from PubChem (CID 91680673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).