N-(furan-2-ylmethyl)-5-methyl-1,3,4-thiadiazol-2-amine

C8H9N3OS — CID 1096905

IUPACN-(furan-2-ylmethyl)-5-methyl-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(NCc2ccco2)s1
InChIInChI=1S/C8H9N3OS/c1-6-10-11-8(13-6)9-5-7-3-2-4-12-7/h2-4H,5H2,1H3,(H,9,11)
InChIKeyYIPBKXCHTULEMJ-UHFFFAOYSA-N
MW195.25 g/mol
LogP2.05
Rot. Bonds3

About N-(furan-2-ylmethyl)-5-methyl-1,3,4-thiadiazol-2-amine

N-(furan-2-ylmethyl)-5-methyl-1,3,4-thiadiazol-2-amine (PubChem CID 1096905) has the molecular formula C8H9N3OS and a molecular weight of 195.25 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-5-methyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-5-methyl-1,3,4-thiadiazol-2-amine
PubChem CID1096905
Molecular FormulaC8H9N3OS
Molecular Weight195.25 g/mol
Exact Mass195.05
IUPAC NameN-(furan-2-ylmethyl)-5-methyl-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(NCc2ccco2)s1
InChIInChI=1S/C8H9N3OS/c1-6-10-11-8(13-6)9-5-7-3-2-4-12-7/h2-4H,5H2,1H3,(H,9,11)
InChIKeyYIPBKXCHTULEMJ-UHFFFAOYSA-N
XLogP2.05
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.25
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-5-methyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(furan-2-ylmethyl)-5-methyl-1,3,4-thiadiazol-2-amine (CID 1096905) is N-(furan-2-ylmethyl)-5-methyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-5-methyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-5-methyl-1,3,4-thiadiazol-2-amine is Cc1nnc(NCc2ccco2)s1.
What is the InChIKey of N-(furan-2-ylmethyl)-5-methyl-1,3,4-thiadiazol-2-amine?
The InChIKey is YIPBKXCHTULEMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3OS/c1-6-10-11-8(13-6)9-5-7-3-2-4-12-7/h2-4H,5H2,1H3,(H,9,11).
What are the key properties of N-(furan-2-ylmethyl)-5-methyl-1,3,4-thiadiazol-2-amine?
N-(furan-2-ylmethyl)-5-methyl-1,3,4-thiadiazol-2-amine has a molecular weight of 195.25 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-5-methyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 1096905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).