N'-(4,6-dimethoxy-1,3-benzothiazol-2-yl)furan-2-carbohydrazide

C14H13N3O4S — CID 43953269

IUPACN'-(4,6-dimethoxy-1,3-benzothiazol-2-yl)furan-2-carbohydrazide
SMILESCOc1cc(OC)c2nc(NNC(=O)c3ccco3)sc2c1
InChIInChI=1S/C14H13N3O4S/c1-19-8-6-10(20-2)12-11(7-8)22-14(15-12)17-16-13(18)9-4-3-5-21-9/h3-7H,1-2H3,(H,15,17)(H,16,18)
InChIKeyBSDRYMXZMPCSKP-UHFFFAOYSA-N
MW319.34 g/mol
LogP2.66
Rot. Bonds5

About N'-(4,6-dimethoxy-1,3-benzothiazol-2-yl)furan-2-carbohydrazide

N'-(4,6-dimethoxy-1,3-benzothiazol-2-yl)furan-2-carbohydrazide (PubChem CID 43953269) has the molecular formula C14H13N3O4S and a molecular weight of 319.34 g/mol. Its IUPAC name is N'-(4,6-dimethoxy-1,3-benzothiazol-2-yl)furan-2-carbohydrazide.

Molecular Properties

Compound NameN'-(4,6-dimethoxy-1,3-benzothiazol-2-yl)furan-2-carbohydrazide
PubChem CID43953269
Molecular FormulaC14H13N3O4S
Molecular Weight319.34 g/mol
Exact Mass319.06
IUPAC NameN'-(4,6-dimethoxy-1,3-benzothiazol-2-yl)furan-2-carbohydrazide
SMILESCOc1cc(OC)c2nc(NNC(=O)c3ccco3)sc2c1
InChIInChI=1S/C14H13N3O4S/c1-19-8-6-10(20-2)12-11(7-8)22-14(15-12)17-16-13(18)9-4-3-5-21-9/h3-7H,1-2H3,(H,15,17)(H,16,18)
InChIKeyBSDRYMXZMPCSKP-UHFFFAOYSA-N
XLogP2.66
TPSA85.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-methoxy-1,3-benzothiazol-2-yl)furan-2-carbohydrazide
CID 43953094
N'-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-2-methoxybenzohydrazide
CID 43953280
N'-(4,6-dimethoxy-1,3-benzothiazol-2-yl)benzohydrazide
CID 43953260
N'-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-3-fluorobenzohydrazide
CID 43953262
N-(6-amino-4-methoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 43548233
N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-2-phenylacetamide
CID 4557888
4,6-dimethoxy-N-methyl-1,3-benzothiazol-2-amine
CID 82105804
3-methoxy-N'-(4-methoxy-1,3-benzothiazol-2-yl)benzohydrazide
CID 7105536
N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-5-(furan-2-yl)-1,3,4-oxadiazol-2-amine
CID 43968743
(4,6-dimethoxy-1,3-benzothiazol-2-yl)hydrazine
CID 5228893
N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-2,2-diphenylacetamide
CID 3324697
N'-(4-fluoro-1,3-benzothiazol-2-yl)-2,4-dimethoxybenzohydrazide
CID 7105563

Frequently Asked Questions

What is the IUPAC name of N'-(4,6-dimethoxy-1,3-benzothiazol-2-yl)furan-2-carbohydrazide?
The IUPAC name of N'-(4,6-dimethoxy-1,3-benzothiazol-2-yl)furan-2-carbohydrazide (CID 43953269) is N'-(4,6-dimethoxy-1,3-benzothiazol-2-yl)furan-2-carbohydrazide.
What is the SMILES notation for N'-(4,6-dimethoxy-1,3-benzothiazol-2-yl)furan-2-carbohydrazide?
The canonical SMILES for N'-(4,6-dimethoxy-1,3-benzothiazol-2-yl)furan-2-carbohydrazide is COc1cc(OC)c2nc(NNC(=O)c3ccco3)sc2c1.
What is the InChIKey of N'-(4,6-dimethoxy-1,3-benzothiazol-2-yl)furan-2-carbohydrazide?
The InChIKey is BSDRYMXZMPCSKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O4S/c1-19-8-6-10(20-2)12-11(7-8)22-14(15-12)17-16-13(18)9-4-3-5-21-9/h3-7H,1-2H3,(H,15,17)(H,16,18).
What are the key properties of N'-(4,6-dimethoxy-1,3-benzothiazol-2-yl)furan-2-carbohydrazide?
N'-(4,6-dimethoxy-1,3-benzothiazol-2-yl)furan-2-carbohydrazide has a molecular weight of 319.34 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4,6-dimethoxy-1,3-benzothiazol-2-yl)furan-2-carbohydrazide is sourced from PubChem (CID 43953269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).