N-(5,6-dichloro-1,3-benzothiazol-2-yl)-2-hydrazinylacetamide

C9H8Cl2N4OS — CID 15403567

IUPACN-(5,6-dichloro-1,3-benzothiazol-2-yl)-2-hydrazinylacetamide
SMILESNNCC(=O)Nc1nc2cc(Cl)c(Cl)cc2s1
InChIInChI=1S/C9H8Cl2N4OS/c10-4-1-6-7(2-5(4)11)17-9(14-6)15-8(16)3-13-12/h1-2,13H,3,12H2,(H,14,15,16)
InChIKeyWHVCRIUSMYURCX-UHFFFAOYSA-N
MW291.16 g/mol
LogP2.00
Rot. Bonds3

About N-(5,6-dichloro-1,3-benzothiazol-2-yl)-2-hydrazinylacetamide

N-(5,6-dichloro-1,3-benzothiazol-2-yl)-2-hydrazinylacetamide (PubChem CID 15403567) has the molecular formula C9H8Cl2N4OS and a molecular weight of 291.16 g/mol. Its IUPAC name is N-(5,6-dichloro-1,3-benzothiazol-2-yl)-2-hydrazinylacetamide.

Molecular Properties

Compound NameN-(5,6-dichloro-1,3-benzothiazol-2-yl)-2-hydrazinylacetamide
PubChem CID15403567
Molecular FormulaC9H8Cl2N4OS
Molecular Weight291.16 g/mol
Exact Mass289.98
IUPAC NameN-(5,6-dichloro-1,3-benzothiazol-2-yl)-2-hydrazinylacetamide
SMILESNNCC(=O)Nc1nc2cc(Cl)c(Cl)cc2s1
InChIInChI=1S/C9H8Cl2N4OS/c10-4-1-6-7(2-5(4)11)17-9(14-6)15-8(16)3-13-12/h1-2,13H,3,12H2,(H,14,15,16)
InChIKeyWHVCRIUSMYURCX-UHFFFAOYSA-N
XLogP2.00
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.16
LogP ≤ 52.00
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-(5,6-dichloro-1,3-benzothiazol-2-yl)-2,2,2-trifluoroacetamide
CID 91742187
2-anilino-N-[2-[(2-anilinoacetyl)amino]-[1,3]thiazolo[4,5-f][1,3]benzothiazol-6-yl]acetamide
CID 15179987
2-[[1-carboxy-3-[(5,6-dichloro-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]amino]-4-methylpentanoic acid
CID 23573061
2-(propan-2-ylamino)-N-[2-[[2-(propan-2-ylamino)acetyl]amino]-[1,3]thiazolo[4,5-f][1,3]benzothiazol-6-yl]acetamide
CID 15179976
N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)-2-naphthalen-2-yloxyacetamide
CID 4237233
N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-3-methylbutanamide
CID 953037
N-(5,6-dichloro-1,3-benzothiazol-2-yl)-2-(4-methyl-5-oxoimidazo[4,5-b]pyridin-1-yl)acetamide
CID 87424152
1-(2-bromoethyl)-3-(5,6-dichloro-1,3-benzothiazol-2-yl)-1-(2-oxoethyl)urea
CID 54243109
N-(5,6-dichloro-1,3-benzothiazol-2-yl)-2-(4-formyl-3-phenylpyrazol-1-yl)acetamide
CID 10410476
5,6-dichloro-N-trimethylsilyl-1,3-benzothiazol-2-amine
CID 91740451
N-(6-chloro-1,3-benzothiazol-2-yl)-2-phosphonatoacetamide
CID 2075016
3-amino-N-(5,6-difluoro-1,3-benzothiazol-2-yl)butanamide;hydrochloride
CID 119758517

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dichloro-1,3-benzothiazol-2-yl)-2-hydrazinylacetamide?
The IUPAC name of N-(5,6-dichloro-1,3-benzothiazol-2-yl)-2-hydrazinylacetamide (CID 15403567) is N-(5,6-dichloro-1,3-benzothiazol-2-yl)-2-hydrazinylacetamide.
What is the SMILES notation for N-(5,6-dichloro-1,3-benzothiazol-2-yl)-2-hydrazinylacetamide?
The canonical SMILES for N-(5,6-dichloro-1,3-benzothiazol-2-yl)-2-hydrazinylacetamide is NNCC(=O)Nc1nc2cc(Cl)c(Cl)cc2s1.
What is the InChIKey of N-(5,6-dichloro-1,3-benzothiazol-2-yl)-2-hydrazinylacetamide?
The InChIKey is WHVCRIUSMYURCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2N4OS/c10-4-1-6-7(2-5(4)11)17-9(14-6)15-8(16)3-13-12/h1-2,13H,3,12H2,(H,14,15,16).
What are the key properties of N-(5,6-dichloro-1,3-benzothiazol-2-yl)-2-hydrazinylacetamide?
N-(5,6-dichloro-1,3-benzothiazol-2-yl)-2-hydrazinylacetamide has a molecular weight of 291.16 g/mol, XLogP of 2.00, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dichloro-1,3-benzothiazol-2-yl)-2-hydrazinylacetamide is sourced from PubChem (CID 15403567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).