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

C17H19N3O2S — CID 663488

IUPACN-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
SMILESO=C(Nc1nnc(C23CC4CC(CC(C4)C2)C3)s1)c1ccco1
InChIInChI=1S/C17H19N3O2S/c21-14(13-2-1-3-22-13)18-16-20-19-15(23-16)17-7-10-4-11(8-17)6-12(5-10)9-17/h1-3,10-12H,4-9H2,(H,18,20,21)
InChIKeySLCBTBPNDJWWLW-UHFFFAOYSA-N
MW329.43 g/mol
LogP3.85
Rot. Bonds3

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

N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide (PubChem CID 663488) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
PubChem CID663488
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC NameN-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
SMILESO=C(Nc1nnc(C23CC4CC(CC(C4)C2)C3)s1)c1ccco1
InChIInChI=1S/C17H19N3O2S/c21-14(13-2-1-3-22-13)18-16-20-19-15(23-16)17-7-10-4-11(8-17)6-12(5-10)9-17/h1-3,10-12H,4-9H2,(H,18,20,21)
InChIKeySLCBTBPNDJWWLW-UHFFFAOYSA-N
XLogP3.85
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide?
The IUPAC name of N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide (CID 663488) is N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide is O=C(Nc1nnc(C23CC4CC(CC(C4)C2)C3)s1)c1ccco1.
What is the InChIKey of N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide?
The InChIKey is SLCBTBPNDJWWLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S/c21-14(13-2-1-3-22-13)18-16-20-19-15(23-16)17-7-10-4-11(8-17)6-12(5-10)9-17/h1-3,10-12H,4-9H2,(H,18,20,21).
What are the key properties of N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide?
N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide has a molecular weight of 329.43 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide is sourced from PubChem (CID 663488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).