N'-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2-oxochromene-3-carbohydrazide

C19H15N3O5S — CID 43953293

IUPACN'-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2-oxochromene-3-carbohydrazide
SMILESCOc1ccc(OC)c2sc(NNC(=O)c3cc4ccccc4oc3=O)nc12
InChIInChI=1S/C19H15N3O5S/c1-25-13-7-8-14(26-2)16-15(13)20-19(28-16)22-21-17(23)11-9-10-5-3-4-6-12(10)27-18(11)24/h3-9H,1-2H3,(H,20,22)(H,21,23)
InChIKeyRLKKANDXDIGUIP-UHFFFAOYSA-N
MW397.41 g/mol
LogP3.18
Rot. Bonds5

About N'-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2-oxochromene-3-carbohydrazide

N'-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2-oxochromene-3-carbohydrazide (PubChem CID 43953293) has the molecular formula C19H15N3O5S and a molecular weight of 397.41 g/mol. Its IUPAC name is N'-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2-oxochromene-3-carbohydrazide.

Molecular Properties

Compound NameN'-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2-oxochromene-3-carbohydrazide
PubChem CID43953293
Molecular FormulaC19H15N3O5S
Molecular Weight397.41 g/mol
Exact Mass397.07
IUPAC NameN'-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2-oxochromene-3-carbohydrazide
SMILESCOc1ccc(OC)c2sc(NNC(=O)c3cc4ccccc4oc3=O)nc12
InChIInChI=1S/C19H15N3O5S/c1-25-13-7-8-14(26-2)16-15(13)20-19(28-16)22-21-17(23)11-9-10-5-3-4-6-12(10)27-18(11)24/h3-9H,1-2H3,(H,20,22)(H,21,23)
InChIKeyRLKKANDXDIGUIP-UHFFFAOYSA-N
XLogP3.18
TPSA102.69 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.41
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N'-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2-oxochromene-3-carbohydrazide
CID 7590156
N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2-oxochromene-3-carboxamide
CID 7590071
methyl N-(2-oxochromene-3-carbonyl)carbamate
CID 901757
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2-oxochromene-3-carboxamide;hydrochloride
CID 44924820
N-[2-(diethylamino)ethyl]-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2-oxochromene-3-carboxamide
CID 41346632
N'-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3-methoxybenzohydrazide
CID 43953289
N'-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3-fluorobenzohydrazide
CID 5205718
N-(2,4-dimethoxy-3-methylphenyl)-2-oxochromene-3-carboxamide
CID 110792977
3-[4-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]chromen-2-one
CID 41074352
N'-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-oxochromene-3-carbohydrazide
CID 2145339
N-(5-chloro-2,4-dimethoxyphenyl)-2-oxochromene-3-carboxamide
CID 1243980
2,6-difluoro-N'-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzohydrazide
CID 43953256

Frequently Asked Questions

What is the IUPAC name of N'-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2-oxochromene-3-carbohydrazide?
The IUPAC name of N'-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2-oxochromene-3-carbohydrazide (CID 43953293) is N'-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2-oxochromene-3-carbohydrazide.
What is the SMILES notation for N'-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2-oxochromene-3-carbohydrazide?
The canonical SMILES for N'-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2-oxochromene-3-carbohydrazide is COc1ccc(OC)c2sc(NNC(=O)c3cc4ccccc4oc3=O)nc12.
What is the InChIKey of N'-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2-oxochromene-3-carbohydrazide?
The InChIKey is RLKKANDXDIGUIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O5S/c1-25-13-7-8-14(26-2)16-15(13)20-19(28-16)22-21-17(23)11-9-10-5-3-4-6-12(10)27-18(11)24/h3-9H,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N'-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2-oxochromene-3-carbohydrazide?
N'-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2-oxochromene-3-carbohydrazide has a molecular weight of 397.41 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2-oxochromene-3-carbohydrazide is sourced from PubChem (CID 43953293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).