[5-[(thiadiazol-5-ylamino)methyl]furan-2-yl]methanol

C8H9N3O2S — CID 107649617

IUPAC[5-[(thiadiazol-5-ylamino)methyl]furan-2-yl]methanol
SMILESOCc1ccc(CNc2cnns2)o1
InChIInChI=1S/C8H9N3O2S/c12-5-7-2-1-6(13-7)3-9-8-4-10-11-14-8/h1-2,4,9,12H,3,5H2
InChIKeyXJTJNHQZDRMQBI-UHFFFAOYSA-N
MW211.25 g/mol
LogP1.24
Rot. Bonds4

About [5-[(thiadiazol-5-ylamino)methyl]furan-2-yl]methanol

[5-[(thiadiazol-5-ylamino)methyl]furan-2-yl]methanol (PubChem CID 107649617) has the molecular formula C8H9N3O2S and a molecular weight of 211.25 g/mol. Its IUPAC name is [5-[(thiadiazol-5-ylamino)methyl]furan-2-yl]methanol.

Molecular Properties

Compound Name[5-[(thiadiazol-5-ylamino)methyl]furan-2-yl]methanol
PubChem CID107649617
Molecular FormulaC8H9N3O2S
Molecular Weight211.25 g/mol
Exact Mass211.04
IUPAC Name[5-[(thiadiazol-5-ylamino)methyl]furan-2-yl]methanol
SMILESOCc1ccc(CNc2cnns2)o1
InChIInChI=1S/C8H9N3O2S/c12-5-7-2-1-6(13-7)3-9-8-4-10-11-14-8/h1-2,4,9,12H,3,5H2
InChIKeyXJTJNHQZDRMQBI-UHFFFAOYSA-N
XLogP1.24
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.25
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-[(thiadiazol-5-ylamino)methyl]furan-2-yl]methanol?
The IUPAC name of [5-[(thiadiazol-5-ylamino)methyl]furan-2-yl]methanol (CID 107649617) is [5-[(thiadiazol-5-ylamino)methyl]furan-2-yl]methanol.
What is the SMILES notation for [5-[(thiadiazol-5-ylamino)methyl]furan-2-yl]methanol?
The canonical SMILES for [5-[(thiadiazol-5-ylamino)methyl]furan-2-yl]methanol is OCc1ccc(CNc2cnns2)o1.
What is the InChIKey of [5-[(thiadiazol-5-ylamino)methyl]furan-2-yl]methanol?
The InChIKey is XJTJNHQZDRMQBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O2S/c12-5-7-2-1-6(13-7)3-9-8-4-10-11-14-8/h1-2,4,9,12H,3,5H2.
What are the key properties of [5-[(thiadiazol-5-ylamino)methyl]furan-2-yl]methanol?
[5-[(thiadiazol-5-ylamino)methyl]furan-2-yl]methanol has a molecular weight of 211.25 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(thiadiazol-5-ylamino)methyl]furan-2-yl]methanol is sourced from PubChem (CID 107649617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).