N'-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2-(4-chlorophenyl)sulfanylacetohydrazide

C16H13Cl2N3O2S2 — CID 41074275

IUPACN'-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2-(4-chlorophenyl)sulfanylacetohydrazide
SMILESCOc1ccc(Cl)c2sc(NNC(=O)CSc3ccc(Cl)cc3)nc12
InChIInChI=1S/C16H13Cl2N3O2S2/c1-23-12-7-6-11(18)15-14(12)19-16(25-15)21-20-13(22)8-24-10-4-2-9(17)3-5-10/h2-7H,8H2,1H3,(H,19,21)(H,20,22)
InChIKeyZUWLKOPYBDNBDB-UHFFFAOYSA-N
MW414.34 g/mol
LogP4.85
Rot. Bonds6

About N'-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2-(4-chlorophenyl)sulfanylacetohydrazide

N'-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2-(4-chlorophenyl)sulfanylacetohydrazide (PubChem CID 41074275) has the molecular formula C16H13Cl2N3O2S2 and a molecular weight of 414.34 g/mol. Its IUPAC name is N'-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2-(4-chlorophenyl)sulfanylacetohydrazide.

Molecular Properties

Compound NameN'-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2-(4-chlorophenyl)sulfanylacetohydrazide
PubChem CID41074275
Molecular FormulaC16H13Cl2N3O2S2
Molecular Weight414.34 g/mol
Exact Mass412.98
IUPAC NameN'-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2-(4-chlorophenyl)sulfanylacetohydrazide
SMILESCOc1ccc(Cl)c2sc(NNC(=O)CSc3ccc(Cl)cc3)nc12
InChIInChI=1S/C16H13Cl2N3O2S2/c1-23-12-7-6-11(18)15-14(12)19-16(25-15)21-20-13(22)8-24-10-4-2-9(17)3-5-10/h2-7H,8H2,1H3,(H,19,21)(H,20,22)
InChIKeyZUWLKOPYBDNBDB-UHFFFAOYSA-N
XLogP4.85
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.34
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4,7-dichloro-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)sulfanylacetamide
CID 41320653
1-[4-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-chlorophenyl)sulfanylethanone
CID 41074436
2-(4-chlorophenyl)sulfanyl-N'-(6-methoxy-1,3-benzothiazol-2-yl)acetohydrazide
CID 7600488
N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-4-ethylsulfanylbenzamide
CID 7590122
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2-phenylsulfanylacetamide
CID 7254756
N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2-naphthalen-2-ylacetamide
CID 16849484
1-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-3-ethylurea
CID 121082763
N'-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-3-ethylsulfonylbenzohydrazide
CID 41074302
N'-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2-oxochromene-3-carbohydrazide
CID 7590156
2-(4-chlorophenyl)sulfanyl-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]acetamide
CID 41026555
1-benzhydryl-3-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)urea
CID 121082762
N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-phenylsulfanylacetamide
CID 7254754

Frequently Asked Questions

What is the IUPAC name of N'-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2-(4-chlorophenyl)sulfanylacetohydrazide?
The IUPAC name of N'-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2-(4-chlorophenyl)sulfanylacetohydrazide (CID 41074275) is N'-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2-(4-chlorophenyl)sulfanylacetohydrazide.
What is the SMILES notation for N'-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2-(4-chlorophenyl)sulfanylacetohydrazide?
The canonical SMILES for N'-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2-(4-chlorophenyl)sulfanylacetohydrazide is COc1ccc(Cl)c2sc(NNC(=O)CSc3ccc(Cl)cc3)nc12.
What is the InChIKey of N'-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2-(4-chlorophenyl)sulfanylacetohydrazide?
The InChIKey is ZUWLKOPYBDNBDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N3O2S2/c1-23-12-7-6-11(18)15-14(12)19-16(25-15)21-20-13(22)8-24-10-4-2-9(17)3-5-10/h2-7H,8H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N'-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2-(4-chlorophenyl)sulfanylacetohydrazide?
N'-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2-(4-chlorophenyl)sulfanylacetohydrazide has a molecular weight of 414.34 g/mol, XLogP of 4.85, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2-(4-chlorophenyl)sulfanylacetohydrazide is sourced from PubChem (CID 41074275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).