5-(furan-3-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine

C7H7N3OS2 — CID 83172117

IUPAC5-(furan-3-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(SCc2ccoc2)s1
InChIInChI=1S/C7H7N3OS2/c8-6-9-10-7(13-6)12-4-5-1-2-11-3-5/h1-3H,4H2,(H2,8,9)
InChIKeyUGAGOJIKMRBIMY-UHFFFAOYSA-N
MW213.29 g/mol
LogP2.01
Rot. Bonds3

About 5-(furan-3-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine

5-(furan-3-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine (PubChem CID 83172117) has the molecular formula C7H7N3OS2 and a molecular weight of 213.29 g/mol. Its IUPAC name is 5-(furan-3-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(furan-3-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine
PubChem CID83172117
Molecular FormulaC7H7N3OS2
Molecular Weight213.29 g/mol
Exact Mass213.00
IUPAC Name5-(furan-3-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(SCc2ccoc2)s1
InChIInChI=1S/C7H7N3OS2/c8-6-9-10-7(13-6)12-4-5-1-2-11-3-5/h1-3H,4H2,(H2,8,9)
InChIKeyUGAGOJIKMRBIMY-UHFFFAOYSA-N
XLogP2.01
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.29
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(thiophen-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine
CID 4962191
4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]thiophene-2-carbaldehyde
CID 9430122
4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]benzoate
CID 7065834
5-(2H-triazol-4-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine
CID 130884607
5-[(2-amino-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 60712716
5-[[6-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,3-benzodioxol-5-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 4976765
5-[[4-[(4-fluorophenyl)methoxy]phenyl]methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 47500614
5-[(1-pentan-3-ylpyrazol-3-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 64786093
5-[[2-(trifluoromethyl)phenyl]methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 7760384
5-[(3-ethylimidazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 66154530
N-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]furan-2-carboxamide
CID 41478237
5-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 9418035

Frequently Asked Questions

What is the IUPAC name of 5-(furan-3-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(furan-3-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine (CID 83172117) is 5-(furan-3-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(furan-3-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(furan-3-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine is Nc1nnc(SCc2ccoc2)s1.
What is the InChIKey of 5-(furan-3-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is UGAGOJIKMRBIMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3OS2/c8-6-9-10-7(13-6)12-4-5-1-2-11-3-5/h1-3H,4H2,(H2,8,9).
What are the key properties of 5-(furan-3-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine?
5-(furan-3-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 213.29 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-3-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 83172117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).