N'-[2-(1,3-benzothiazol-2-ylmethoxy)acetyl]-5-chloro-2-methoxybenzohydrazide

C18H16ClN3O4S — CID 9278562

IUPACN'-[2-(1,3-benzothiazol-2-ylmethoxy)acetyl]-5-chloro-2-methoxybenzohydrazide
SMILESCOc1ccc(Cl)cc1C(=O)NNC(=O)COCc1nc2ccccc2s1
InChIInChI=1S/C18H16ClN3O4S/c1-25-14-7-6-11(19)8-12(14)18(24)22-21-16(23)9-26-10-17-20-13-4-2-3-5-15(13)27-17/h2-8H,9-10H2,1H3,(H,21,23)(H,22,24)
InChIKeyKRRCVXOWAGZOSO-UHFFFAOYSA-N
MW405.86 g/mol
LogP2.94
Rot. Bonds6

About N'-[2-(1,3-benzothiazol-2-ylmethoxy)acetyl]-5-chloro-2-methoxybenzohydrazide

N'-[2-(1,3-benzothiazol-2-ylmethoxy)acetyl]-5-chloro-2-methoxybenzohydrazide (PubChem CID 9278562) has the molecular formula C18H16ClN3O4S and a molecular weight of 405.86 g/mol. Its IUPAC name is N'-[2-(1,3-benzothiazol-2-ylmethoxy)acetyl]-5-chloro-2-methoxybenzohydrazide.

Molecular Properties

Compound NameN'-[2-(1,3-benzothiazol-2-ylmethoxy)acetyl]-5-chloro-2-methoxybenzohydrazide
PubChem CID9278562
Molecular FormulaC18H16ClN3O4S
Molecular Weight405.86 g/mol
Exact Mass405.06
IUPAC NameN'-[2-(1,3-benzothiazol-2-ylmethoxy)acetyl]-5-chloro-2-methoxybenzohydrazide
SMILESCOc1ccc(Cl)cc1C(=O)NNC(=O)COCc1nc2ccccc2s1
InChIInChI=1S/C18H16ClN3O4S/c1-25-14-7-6-11(19)8-12(14)18(24)22-21-16(23)9-26-10-17-20-13-4-2-3-5-15(13)27-17/h2-8H,9-10H2,1H3,(H,21,23)(H,22,24)
InChIKeyKRRCVXOWAGZOSO-UHFFFAOYSA-N
XLogP2.94
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.86
LogP ≤ 52.94
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-(1,3-benzothiazol-2-yl)butanoyl]-4-chloro-2-methoxybenzohydrazide
CID 32932403
5-chloro-2-methoxy-N'-(2-phenoxyacetyl)benzohydrazide
CID 2634898
5-chloro-N'-(5-chloro-2-methoxybenzoyl)-2-methoxybenzohydrazide
CID 7922079
2-(1,3-benzothiazol-2-ylmethoxy)-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 43012771
5-chloro-N'-[2-(2-ethoxyphenoxy)acetyl]-2-methoxybenzohydrazide
CID 24536002
2-(1,3-benzothiazol-2-ylmethoxy)-N'-(3,4-dichlorophenyl)acetohydrazide
CID 39966204
5-chloro-2-methoxy-N'-[2-(2-methylphenoxy)acetyl]benzohydrazide
CID 2709916
5-chloro-2-methoxy-N'-(2-quinolin-2-ylsulfanylacetyl)benzohydrazide
CID 7754724
1,3-benzothiazol-2-ylmethyl 2,5-dichlorobenzoate
CID 2398017
[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate
CID 16540331
N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-5-chloro-2-methoxybenzamide
CID 2276469
N-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]-5-chloro-2-methoxybenzamide
CID 121109275

Frequently Asked Questions

What is the IUPAC name of N'-[2-(1,3-benzothiazol-2-ylmethoxy)acetyl]-5-chloro-2-methoxybenzohydrazide?
The IUPAC name of N'-[2-(1,3-benzothiazol-2-ylmethoxy)acetyl]-5-chloro-2-methoxybenzohydrazide (CID 9278562) is N'-[2-(1,3-benzothiazol-2-ylmethoxy)acetyl]-5-chloro-2-methoxybenzohydrazide.
What is the SMILES notation for N'-[2-(1,3-benzothiazol-2-ylmethoxy)acetyl]-5-chloro-2-methoxybenzohydrazide?
The canonical SMILES for N'-[2-(1,3-benzothiazol-2-ylmethoxy)acetyl]-5-chloro-2-methoxybenzohydrazide is COc1ccc(Cl)cc1C(=O)NNC(=O)COCc1nc2ccccc2s1.
What is the InChIKey of N'-[2-(1,3-benzothiazol-2-ylmethoxy)acetyl]-5-chloro-2-methoxybenzohydrazide?
The InChIKey is KRRCVXOWAGZOSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O4S/c1-25-14-7-6-11(19)8-12(14)18(24)22-21-16(23)9-26-10-17-20-13-4-2-3-5-15(13)27-17/h2-8H,9-10H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N'-[2-(1,3-benzothiazol-2-ylmethoxy)acetyl]-5-chloro-2-methoxybenzohydrazide?
N'-[2-(1,3-benzothiazol-2-ylmethoxy)acetyl]-5-chloro-2-methoxybenzohydrazide has a molecular weight of 405.86 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(1,3-benzothiazol-2-ylmethoxy)acetyl]-5-chloro-2-methoxybenzohydrazide is sourced from PubChem (CID 9278562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).