N-[5-(3-amino-4-fluorophenyl)-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide

C13H13FN4O2S — CID 82176877

IUPACN-[5-(3-amino-4-fluorophenyl)-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide
SMILESNc1cc(-c2nnc(NC(=O)C3CCCO3)s2)ccc1F
InChIInChI=1S/C13H13FN4O2S/c14-8-4-3-7(6-9(8)15)12-17-18-13(21-12)16-11(19)10-2-1-5-20-10/h3-4,6,10H,1-2,5,15H2,(H,16,18,19)
InChIKeySOTOMJUPWWPTBX-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.04
Rot. Bonds3

About N-[5-(3-amino-4-fluorophenyl)-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide

N-[5-(3-amino-4-fluorophenyl)-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide (PubChem CID 82176877) has the molecular formula C13H13FN4O2S and a molecular weight of 308.34 g/mol. Its IUPAC name is N-[5-(3-amino-4-fluorophenyl)-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[5-(3-amino-4-fluorophenyl)-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide
PubChem CID82176877
Molecular FormulaC13H13FN4O2S
Molecular Weight308.34 g/mol
Exact Mass308.07
IUPAC NameN-[5-(3-amino-4-fluorophenyl)-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide
SMILESNc1cc(-c2nnc(NC(=O)C3CCCO3)s2)ccc1F
InChIInChI=1S/C13H13FN4O2S/c14-8-4-3-7(6-9(8)15)12-17-18-13(21-12)16-11(19)10-2-1-5-20-10/h3-4,6,10H,1-2,5,15H2,(H,16,18,19)
InChIKeySOTOMJUPWWPTBX-UHFFFAOYSA-N
XLogP2.04
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-(3-amino-4-fluorophenyl)-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide?
The IUPAC name of N-[5-(3-amino-4-fluorophenyl)-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide (CID 82176877) is N-[5-(3-amino-4-fluorophenyl)-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide.
What is the SMILES notation for N-[5-(3-amino-4-fluorophenyl)-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide?
The canonical SMILES for N-[5-(3-amino-4-fluorophenyl)-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide is Nc1cc(-c2nnc(NC(=O)C3CCCO3)s2)ccc1F.
What is the InChIKey of N-[5-(3-amino-4-fluorophenyl)-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide?
The InChIKey is SOTOMJUPWWPTBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN4O2S/c14-8-4-3-7(6-9(8)15)12-17-18-13(21-12)16-11(19)10-2-1-5-20-10/h3-4,6,10H,1-2,5,15H2,(H,16,18,19).
What are the key properties of N-[5-(3-amino-4-fluorophenyl)-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide?
N-[5-(3-amino-4-fluorophenyl)-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide has a molecular weight of 308.34 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-amino-4-fluorophenyl)-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide is sourced from PubChem (CID 82176877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).