3-[2-(2-benzylidenehydrazinyl)-1,3-thiazol-5-yl]chromen-2-one

C19H13N3O2S — CID 3866464

IUPAC3-[2-(2-benzylidenehydrazinyl)-1,3-thiazol-5-yl]chromen-2-one
SMILESO=c1oc2ccccc2cc1-c1cnc(NN=Cc2ccccc2)s1
InChIInChI=1S/C19H13N3O2S/c23-18-15(10-14-8-4-5-9-16(14)24-18)17-12-20-19(25-17)22-21-11-13-6-2-1-3-7-13/h1-12H,(H,20,22)
InChIKeyISIHNVRRVATYAD-UHFFFAOYSA-N
MW347.40 g/mol
LogP4.36
Rot. Bonds4

About 3-[2-(2-benzylidenehydrazinyl)-1,3-thiazol-5-yl]chromen-2-one

3-[2-(2-benzylidenehydrazinyl)-1,3-thiazol-5-yl]chromen-2-one (PubChem CID 3866464) has the molecular formula C19H13N3O2S and a molecular weight of 347.40 g/mol. Its IUPAC name is 3-[2-(2-benzylidenehydrazinyl)-1,3-thiazol-5-yl]chromen-2-one.

Molecular Properties

Compound Name3-[2-(2-benzylidenehydrazinyl)-1,3-thiazol-5-yl]chromen-2-one
PubChem CID3866464
Molecular FormulaC19H13N3O2S
Molecular Weight347.40 g/mol
Exact Mass347.07
IUPAC Name3-[2-(2-benzylidenehydrazinyl)-1,3-thiazol-5-yl]chromen-2-one
SMILESO=c1oc2ccccc2cc1-c1cnc(NN=Cc2ccccc2)s1
InChIInChI=1S/C19H13N3O2S/c23-18-15(10-14-8-4-5-9-16(14)24-18)17-12-20-19(25-17)22-21-11-13-6-2-1-3-7-13/h1-12H,(H,20,22)
InChIKeyISIHNVRRVATYAD-UHFFFAOYSA-N
XLogP4.36
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[2-[2-[(4-bromophenyl)methylidene]hydrazinyl]-1,3-thiazol-5-yl]benzo[f]chromen-3-one
CID 4318898
3-[2-[(2Z)-2-[(4-bromophenyl)methylidene]hydrazinyl]-1,3-thiazol-5-yl]-6-chlorochromen-2-one
CID 6074308
2-[2-[(2Z)-2-[(4-nitrophenyl)methylidene]hydrazinyl]-1,3-thiazol-5-yl]benzo[f]chromen-3-one
CID 6041554
6-bromo-3-[2-[(2Z)-2-[(4-nitrophenyl)methylidene]hydrazinyl]-1,3-thiazol-5-yl]chromen-2-one
CID 6245440
3-[2-[2-[(2-fluorophenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]chromen-2-one
CID 3792994
5-(5-phenyl-1-benzofuran-2-yl)-N-[(Z)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-amine
CID 162395028
3-[2-[(2E)-2-[(2-bromo-5-fluorophenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]chromen-2-one
CID 156580018
3-[2-[(2Z)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]chromen-2-one
CID 171979289
3-[5-[(E)-[(5-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]furan-2-yl]benzoic acid
CID 73350572
3-[diethoxyphosphoryl-[[5-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]amino]methyl]-6-methyl-1H-quinolin-2-one
CID 156905762
4-chloro-2-[2-[(2Z)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-5-yl]phenol
CID 137035036
3-phenylchromen-2-one;hydrochloride
CID 141206894

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-benzylidenehydrazinyl)-1,3-thiazol-5-yl]chromen-2-one?
The IUPAC name of 3-[2-(2-benzylidenehydrazinyl)-1,3-thiazol-5-yl]chromen-2-one (CID 3866464) is 3-[2-(2-benzylidenehydrazinyl)-1,3-thiazol-5-yl]chromen-2-one.
What is the SMILES notation for 3-[2-(2-benzylidenehydrazinyl)-1,3-thiazol-5-yl]chromen-2-one?
The canonical SMILES for 3-[2-(2-benzylidenehydrazinyl)-1,3-thiazol-5-yl]chromen-2-one is O=c1oc2ccccc2cc1-c1cnc(NN=Cc2ccccc2)s1.
What is the InChIKey of 3-[2-(2-benzylidenehydrazinyl)-1,3-thiazol-5-yl]chromen-2-one?
The InChIKey is ISIHNVRRVATYAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3O2S/c23-18-15(10-14-8-4-5-9-16(14)24-18)17-12-20-19(25-17)22-21-11-13-6-2-1-3-7-13/h1-12H,(H,20,22).
What are the key properties of 3-[2-(2-benzylidenehydrazinyl)-1,3-thiazol-5-yl]chromen-2-one?
3-[2-(2-benzylidenehydrazinyl)-1,3-thiazol-5-yl]chromen-2-one has a molecular weight of 347.40 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-benzylidenehydrazinyl)-1,3-thiazol-5-yl]chromen-2-one is sourced from PubChem (CID 3866464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).