N'-(4,5-dihydro-1,3-thiazol-2-yl)furan-2-carbohydrazide

C8H9N3O2S — CID 3060506

IUPACN'-(4,5-dihydro-1,3-thiazol-2-yl)furan-2-carbohydrazide
SMILESO=C(NNC1=NCCS1)c1ccco1
InChIInChI=1S/C8H9N3O2S/c12-7(6-2-1-4-13-6)10-11-8-9-3-5-14-8/h1-2,4H,3,5H2,(H,9,11)(H,10,12)
InChIKeyPODQDHGFQPWCQC-UHFFFAOYSA-N
MW211.25 g/mol
LogP0.62
Rot. Bonds1

About N'-(4,5-dihydro-1,3-thiazol-2-yl)furan-2-carbohydrazide

N'-(4,5-dihydro-1,3-thiazol-2-yl)furan-2-carbohydrazide (PubChem CID 3060506) has the molecular formula C8H9N3O2S and a molecular weight of 211.25 g/mol. Its IUPAC name is N'-(4,5-dihydro-1,3-thiazol-2-yl)furan-2-carbohydrazide.

Molecular Properties

Compound NameN'-(4,5-dihydro-1,3-thiazol-2-yl)furan-2-carbohydrazide
PubChem CID3060506
Molecular FormulaC8H9N3O2S
Molecular Weight211.25 g/mol
Exact Mass211.04
IUPAC NameN'-(4,5-dihydro-1,3-thiazol-2-yl)furan-2-carbohydrazide
SMILESO=C(NNC1=NCCS1)c1ccco1
InChIInChI=1S/C8H9N3O2S/c12-7(6-2-1-4-13-6)10-11-8-9-3-5-14-8/h1-2,4H,3,5H2,(H,9,11)(H,10,12)
InChIKeyPODQDHGFQPWCQC-UHFFFAOYSA-N
XLogP0.62
TPSA66.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.25
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(4,5-dihydro-1,3-thiazol-2-yl)furan-2-carbohydrazide?
The IUPAC name of N'-(4,5-dihydro-1,3-thiazol-2-yl)furan-2-carbohydrazide (CID 3060506) is N'-(4,5-dihydro-1,3-thiazol-2-yl)furan-2-carbohydrazide.
What is the SMILES notation for N'-(4,5-dihydro-1,3-thiazol-2-yl)furan-2-carbohydrazide?
The canonical SMILES for N'-(4,5-dihydro-1,3-thiazol-2-yl)furan-2-carbohydrazide is O=C(NNC1=NCCS1)c1ccco1.
What is the InChIKey of N'-(4,5-dihydro-1,3-thiazol-2-yl)furan-2-carbohydrazide?
The InChIKey is PODQDHGFQPWCQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O2S/c12-7(6-2-1-4-13-6)10-11-8-9-3-5-14-8/h1-2,4H,3,5H2,(H,9,11)(H,10,12).
What are the key properties of N'-(4,5-dihydro-1,3-thiazol-2-yl)furan-2-carbohydrazide?
N'-(4,5-dihydro-1,3-thiazol-2-yl)furan-2-carbohydrazide has a molecular weight of 211.25 g/mol, XLogP of 0.62, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4,5-dihydro-1,3-thiazol-2-yl)furan-2-carbohydrazide is sourced from PubChem (CID 3060506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).