N-[4-methoxy-3-(5-phenyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)phenyl]hydroxylamine

C15H15N3O2S — CID 146602597

IUPACN-[4-methoxy-3-(5-phenyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)phenyl]hydroxylamine
SMILESCOc1ccc(NO)cc1C1NN=C(c2ccccc2)S1
InChIInChI=1S/C15H15N3O2S/c1-20-13-8-7-11(18-19)9-12(13)15-17-16-14(21-15)10-5-3-2-4-6-10/h2-9,15,17-19H,1H3
InChIKeyUQAIRNWGKCLPDX-UHFFFAOYSA-N
MW301.37 g/mol
LogP3.19
Rot. Bonds4

About N-[4-methoxy-3-(5-phenyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)phenyl]hydroxylamine

N-[4-methoxy-3-(5-phenyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)phenyl]hydroxylamine (PubChem CID 146602597) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is N-[4-methoxy-3-(5-phenyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)phenyl]hydroxylamine.

Molecular Properties

Compound NameN-[4-methoxy-3-(5-phenyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)phenyl]hydroxylamine
PubChem CID146602597
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC NameN-[4-methoxy-3-(5-phenyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)phenyl]hydroxylamine
SMILESCOc1ccc(NO)cc1C1NN=C(c2ccccc2)S1
InChIInChI=1S/C15H15N3O2S/c1-20-13-8-7-11(18-19)9-12(13)15-17-16-14(21-15)10-5-3-2-4-6-10/h2-9,15,17-19H,1H3
InChIKeyUQAIRNWGKCLPDX-UHFFFAOYSA-N
XLogP3.19
TPSA65.88 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-methoxy-3-(5-phenyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)phenyl]hydroxylamine?
The IUPAC name of N-[4-methoxy-3-(5-phenyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)phenyl]hydroxylamine (CID 146602597) is N-[4-methoxy-3-(5-phenyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)phenyl]hydroxylamine.
What is the SMILES notation for N-[4-methoxy-3-(5-phenyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)phenyl]hydroxylamine?
The canonical SMILES for N-[4-methoxy-3-(5-phenyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)phenyl]hydroxylamine is COc1ccc(NO)cc1C1NN=C(c2ccccc2)S1.
What is the InChIKey of N-[4-methoxy-3-(5-phenyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)phenyl]hydroxylamine?
The InChIKey is UQAIRNWGKCLPDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c1-20-13-8-7-11(18-19)9-12(13)15-17-16-14(21-15)10-5-3-2-4-6-10/h2-9,15,17-19H,1H3.
What are the key properties of N-[4-methoxy-3-(5-phenyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)phenyl]hydroxylamine?
N-[4-methoxy-3-(5-phenyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)phenyl]hydroxylamine has a molecular weight of 301.37 g/mol, XLogP of 3.19, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-3-(5-phenyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)phenyl]hydroxylamine is sourced from PubChem (CID 146602597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).