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

C17H10FN3O3S — CID 7105566

IUPACN'-(4-fluoro-1,3-benzothiazol-2-yl)-4-oxochromene-2-carbohydrazide
SMILESO=C(NNc1nc2c(F)cccc2s1)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C17H10FN3O3S/c18-10-5-3-7-14-15(10)19-17(25-14)21-20-16(23)13-8-11(22)9-4-1-2-6-12(9)24-13/h1-8H,(H,19,21)(H,20,23)
InChIKeyCYHQLWNMDRQAIK-UHFFFAOYSA-N
MW355.35 g/mol
LogP3.30
Rot. Bonds3

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

N'-(4-fluoro-1,3-benzothiazol-2-yl)-4-oxochromene-2-carbohydrazide (PubChem CID 7105566) has the molecular formula C17H10FN3O3S and a molecular weight of 355.35 g/mol. Its IUPAC name is N'-(4-fluoro-1,3-benzothiazol-2-yl)-4-oxochromene-2-carbohydrazide.

Molecular Properties

Compound NameN'-(4-fluoro-1,3-benzothiazol-2-yl)-4-oxochromene-2-carbohydrazide
PubChem CID7105566
Molecular FormulaC17H10FN3O3S
Molecular Weight355.35 g/mol
Exact Mass355.04
IUPAC NameN'-(4-fluoro-1,3-benzothiazol-2-yl)-4-oxochromene-2-carbohydrazide
SMILESO=C(NNc1nc2c(F)cccc2s1)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C17H10FN3O3S/c18-10-5-3-7-14-15(10)19-17(25-14)21-20-16(23)13-8-11(22)9-4-1-2-6-12(9)24-13/h1-8H,(H,19,21)(H,20,23)
InChIKeyCYHQLWNMDRQAIK-UHFFFAOYSA-N
XLogP3.30
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.35
LogP ≤ 53.30
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-fluoro-1,3-benzothiazol-2-yl)-4-oxochromene-2-carboxamide
CID 7193218
N-benzo[e][1,3]benzothiazol-2-yl-4-oxochromene-2-carboxamide
CID 3638256
N-(4-methoxy-1,3-benzothiazol-2-yl)-4-oxochromene-2-carboxamide
CID 3477736
N-benzyl-N-(4-fluoro-1,3-benzothiazol-2-yl)-4-oxochromene-2-carboxamide
CID 41109920
N'-(4-chloro-1,3-benzothiazol-2-yl)-2,6-difluorobenzohydrazide
CID 7105594
N'-(4-fluoro-1,3-benzothiazol-2-yl)-4-methylsulfonylbenzohydrazide
CID 7599822
N'-(4-fluoro-1,3-benzothiazol-2-yl)-2,4-dimethoxybenzohydrazide
CID 7105563
N-(2-aminoethyl)-4-oxochromene-2-carboxamide
CID 54880765
2,6-difluoro-N'-(4-methoxy-1,3-benzothiazol-2-yl)benzohydrazide
CID 7105549
N'-(cyclopropanecarbonyl)-4-oxochromene-2-carbohydrazide
CID 47102362
N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-4-oxochromene-2-carboxamide
CID 4072632
2-chloro-N-(4-fluoro-1,3-benzothiazol-2-yl)benzamide
CID 7193186

Frequently Asked Questions

What is the IUPAC name of N'-(4-fluoro-1,3-benzothiazol-2-yl)-4-oxochromene-2-carbohydrazide?
The IUPAC name of N'-(4-fluoro-1,3-benzothiazol-2-yl)-4-oxochromene-2-carbohydrazide (CID 7105566) is N'-(4-fluoro-1,3-benzothiazol-2-yl)-4-oxochromene-2-carbohydrazide.
What is the SMILES notation for N'-(4-fluoro-1,3-benzothiazol-2-yl)-4-oxochromene-2-carbohydrazide?
The canonical SMILES for N'-(4-fluoro-1,3-benzothiazol-2-yl)-4-oxochromene-2-carbohydrazide is O=C(NNc1nc2c(F)cccc2s1)c1cc(=O)c2ccccc2o1.
What is the InChIKey of N'-(4-fluoro-1,3-benzothiazol-2-yl)-4-oxochromene-2-carbohydrazide?
The InChIKey is CYHQLWNMDRQAIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10FN3O3S/c18-10-5-3-7-14-15(10)19-17(25-14)21-20-16(23)13-8-11(22)9-4-1-2-6-12(9)24-13/h1-8H,(H,19,21)(H,20,23).
What are the key properties of N'-(4-fluoro-1,3-benzothiazol-2-yl)-4-oxochromene-2-carbohydrazide?
N'-(4-fluoro-1,3-benzothiazol-2-yl)-4-oxochromene-2-carbohydrazide has a molecular weight of 355.35 g/mol, XLogP of 3.30, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-fluoro-1,3-benzothiazol-2-yl)-4-oxochromene-2-carbohydrazide is sourced from PubChem (CID 7105566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).