N'-(6-chloro-1,3-benzothiazol-2-yl)-2,3-dimethoxybenzohydrazide

C16H14ClN3O3S — CID 7600552

IUPACN'-(6-chloro-1,3-benzothiazol-2-yl)-2,3-dimethoxybenzohydrazide
SMILESCOc1cccc(C(=O)NNc2nc3ccc(Cl)cc3s2)c1OC
InChIInChI=1S/C16H14ClN3O3S/c1-22-12-5-3-4-10(14(12)23-2)15(21)19-20-16-18-11-7-6-9(17)8-13(11)24-16/h3-8H,1-2H3,(H,18,20)(H,19,21)
InChIKeyKEECINNWAUZEKG-UHFFFAOYSA-N
MW363.83 g/mol
LogP3.72
Rot. Bonds5

About N'-(6-chloro-1,3-benzothiazol-2-yl)-2,3-dimethoxybenzohydrazide

N'-(6-chloro-1,3-benzothiazol-2-yl)-2,3-dimethoxybenzohydrazide (PubChem CID 7600552) has the molecular formula C16H14ClN3O3S and a molecular weight of 363.83 g/mol. Its IUPAC name is N'-(6-chloro-1,3-benzothiazol-2-yl)-2,3-dimethoxybenzohydrazide.

Molecular Properties

Compound NameN'-(6-chloro-1,3-benzothiazol-2-yl)-2,3-dimethoxybenzohydrazide
PubChem CID7600552
Molecular FormulaC16H14ClN3O3S
Molecular Weight363.83 g/mol
Exact Mass363.04
IUPAC NameN'-(6-chloro-1,3-benzothiazol-2-yl)-2,3-dimethoxybenzohydrazide
SMILESCOc1cccc(C(=O)NNc2nc3ccc(Cl)cc3s2)c1OC
InChIInChI=1S/C16H14ClN3O3S/c1-22-12-5-3-4-10(14(12)23-2)15(21)19-20-16-18-11-7-6-9(17)8-13(11)24-16/h3-8H,1-2H3,(H,18,20)(H,19,21)
InChIKeyKEECINNWAUZEKG-UHFFFAOYSA-N
XLogP3.72
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.83
LogP ≤ 53.72
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'-(6-ethyl-1,3-benzothiazol-2-yl)-2,3-dimethoxybenzohydrazide
CID 7600418
N'-(4,6-difluoro-1,3-benzothiazol-2-yl)-2,3-dimethoxybenzohydrazide
CID 7600062
2,6-dimethoxy-N'-(6-methoxy-1,3-benzothiazol-2-yl)benzohydrazide
CID 7105623
N-[6-(difluoromethoxy)-1,3-benzothiazol-2-yl]-2,3-dimethoxybenzamide
CID 4776340
N'-(6-chloro-1,3-benzothiazol-2-yl)thiophene-2-carbohydrazide
CID 43953203
5-bromo-N-(6-chloro-1,3-benzothiazol-2-yl)-2-methoxy-3-methylbenzamide
CID 3528425
1-N,2-N-bis(6-chloro-1,3-benzothiazol-2-yl)benzene-1,2-dicarboxamide
CID 4651435
1-[(6-chloro-1,3-benzothiazol-2-yl)amino]-3-[3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]urea
CID 167786717
N-(6-chloro-1,3-benzothiazol-2-yl)-3,4,5-trimethoxy-2-nitrobenzamide
CID 55414055
2-(difluoromethoxy)-3-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 112759261
N'-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-methoxybenzohydrazide
CID 7105713
N'-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-2-methoxybenzohydrazide
CID 43953280

Frequently Asked Questions

What is the IUPAC name of N'-(6-chloro-1,3-benzothiazol-2-yl)-2,3-dimethoxybenzohydrazide?
The IUPAC name of N'-(6-chloro-1,3-benzothiazol-2-yl)-2,3-dimethoxybenzohydrazide (CID 7600552) is N'-(6-chloro-1,3-benzothiazol-2-yl)-2,3-dimethoxybenzohydrazide.
What is the SMILES notation for N'-(6-chloro-1,3-benzothiazol-2-yl)-2,3-dimethoxybenzohydrazide?
The canonical SMILES for N'-(6-chloro-1,3-benzothiazol-2-yl)-2,3-dimethoxybenzohydrazide is COc1cccc(C(=O)NNc2nc3ccc(Cl)cc3s2)c1OC.
What is the InChIKey of N'-(6-chloro-1,3-benzothiazol-2-yl)-2,3-dimethoxybenzohydrazide?
The InChIKey is KEECINNWAUZEKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O3S/c1-22-12-5-3-4-10(14(12)23-2)15(21)19-20-16-18-11-7-6-9(17)8-13(11)24-16/h3-8H,1-2H3,(H,18,20)(H,19,21).
What are the key properties of N'-(6-chloro-1,3-benzothiazol-2-yl)-2,3-dimethoxybenzohydrazide?
N'-(6-chloro-1,3-benzothiazol-2-yl)-2,3-dimethoxybenzohydrazide has a molecular weight of 363.83 g/mol, XLogP of 3.72, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(6-chloro-1,3-benzothiazol-2-yl)-2,3-dimethoxybenzohydrazide is sourced from PubChem (CID 7600552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).