N'-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]benzohydrazide

C19H13N3O3S — CID 3304304

IUPACN'-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]benzohydrazide
SMILESO=C(NNc1nc(-c2cc3ccccc3oc2=O)cs1)c1ccccc1
InChIInChI=1S/C19H13N3O3S/c23-17(12-6-2-1-3-7-12)21-22-19-20-15(11-26-19)14-10-13-8-4-5-9-16(13)25-18(14)24/h1-11H,(H,20,22)(H,21,23)
InChIKeyCXQRXNWHFCHDQT-UHFFFAOYSA-N
MW363.40 g/mol
LogP3.67
Rot. Bonds4

About N'-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]benzohydrazide

N'-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]benzohydrazide (PubChem CID 3304304) has the molecular formula C19H13N3O3S and a molecular weight of 363.40 g/mol. Its IUPAC name is N'-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]benzohydrazide.

Molecular Properties

Compound NameN'-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]benzohydrazide
PubChem CID3304304
Molecular FormulaC19H13N3O3S
Molecular Weight363.40 g/mol
Exact Mass363.07
IUPAC NameN'-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]benzohydrazide
SMILESO=C(NNc1nc(-c2cc3ccccc3oc2=O)cs1)c1ccccc1
InChIInChI=1S/C19H13N3O3S/c23-17(12-6-2-1-3-7-12)21-22-19-20-15(11-26-19)14-10-13-8-4-5-9-16(13)25-18(14)24/h1-11H,(H,20,22)(H,21,23)
InChIKeyCXQRXNWHFCHDQT-UHFFFAOYSA-N
XLogP3.67
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.40
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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CID 122164710
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CID 91899431
CID 91899431
CID 91899432
CID 91899432
CID 91899442
CID 91899442
CID 1075903
CID 1075903
CID 1075906
CID 1075906
CID 1075907
CID 1075907
CID 2851169
CID 2851169
CID 9594694
CID 9594694
CID 698945
CID 698945

Frequently Asked Questions

What is the IUPAC name of N'-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]benzohydrazide?
The IUPAC name of N'-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]benzohydrazide (CID 3304304) is N'-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]benzohydrazide.
What is the SMILES notation for N'-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]benzohydrazide?
The canonical SMILES for N'-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]benzohydrazide is O=C(NNc1nc(-c2cc3ccccc3oc2=O)cs1)c1ccccc1.
What is the InChIKey of N'-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]benzohydrazide?
The InChIKey is CXQRXNWHFCHDQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3O3S/c23-17(12-6-2-1-3-7-12)21-22-19-20-15(11-26-19)14-10-13-8-4-5-9-16(13)25-18(14)24/h1-11H,(H,20,22)(H,21,23).
What are the key properties of N'-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]benzohydrazide?
N'-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]benzohydrazide has a molecular weight of 363.40 g/mol, XLogP of 3.67, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]benzohydrazide is sourced from PubChem (CID 3304304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).