N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide

C13H15N3O2S — CID 647275

IUPACN-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide
SMILESO=C(Nc1nnc(-c2ccco2)s1)C1CCCCC1
InChIInChI=1S/C13H15N3O2S/c17-11(9-5-2-1-3-6-9)14-13-16-15-12(19-13)10-7-4-8-18-10/h4,7-9H,1-3,5-6H2,(H,14,16,17)
InChIKeyYTWDTYCUSRXZGP-UHFFFAOYSA-N
MW277.35 g/mol
LogP3.32
Rot. Bonds3

About N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide

N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide (PubChem CID 647275) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide
PubChem CID647275
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC NameN-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide
SMILESO=C(Nc1nnc(-c2ccco2)s1)C1CCCCC1
InChIInChI=1S/C13H15N3O2S/c17-11(9-5-2-1-3-6-9)14-13-16-15-12(19-13)10-7-4-8-18-10/h4,7-9H,1-3,5-6H2,(H,14,16,17)
InChIKeyYTWDTYCUSRXZGP-UHFFFAOYSA-N
XLogP3.32
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide?
The IUPAC name of N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide (CID 647275) is N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide is O=C(Nc1nnc(-c2ccco2)s1)C1CCCCC1.
What is the InChIKey of N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide?
The InChIKey is YTWDTYCUSRXZGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c17-11(9-5-2-1-3-6-9)14-13-16-15-12(19-13)10-7-4-8-18-10/h4,7-9H,1-3,5-6H2,(H,14,16,17).
What are the key properties of N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide?
N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide has a molecular weight of 277.35 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide is sourced from PubChem (CID 647275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).