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

C8H9N3OS2 — CID 126999868

IUPACN-(furan-2-ylmethyl)-3-methylsulfanyl-1,2,4-thiadiazol-5-amine
SMILESCSc1nsc(NCc2ccco2)n1
InChIInChI=1S/C8H9N3OS2/c1-13-8-10-7(14-11-8)9-5-6-3-2-4-12-6/h2-4H,5H2,1H3,(H,9,10,11)
InChIKeyXBSBIEZQBSTQDO-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.47
Rot. Bonds4

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

N-(furan-2-ylmethyl)-3-methylsulfanyl-1,2,4-thiadiazol-5-amine (PubChem CID 126999868) has the molecular formula C8H9N3OS2 and a molecular weight of 227.31 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3-methylsulfanyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-3-methylsulfanyl-1,2,4-thiadiazol-5-amine
PubChem CID126999868
Molecular FormulaC8H9N3OS2
Molecular Weight227.31 g/mol
Exact Mass227.02
IUPAC NameN-(furan-2-ylmethyl)-3-methylsulfanyl-1,2,4-thiadiazol-5-amine
SMILESCSc1nsc(NCc2ccco2)n1
InChIInChI=1S/C8H9N3OS2/c1-13-8-10-7(14-11-8)9-5-6-3-2-4-12-6/h2-4H,5H2,1H3,(H,9,10,11)
InChIKeyXBSBIEZQBSTQDO-UHFFFAOYSA-N
XLogP2.47
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-N-ethyl-4-N-(furan-2-ylmethyl)-2-methylsulfanylpyrimidine-4,6-diamine
CID 80765455
N-(furan-2-ylmethyl)-4,5-dimethyl-1,3-thiazol-2-amine
CID 9167847
N-(furan-2-ylmethyl)-2-methylsulfanylaniline
CID 43683353
N-(furan-2-ylmethyl)-4,7-dimethyl-1,3-benzothiazol-2-amine
CID 71300260
trans-(1R,2R)-2-(furan-2-yl)-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)cyclopropane-1-carboxamide
CID 97018748
trans-(1S,2S)-2-(furan-2-yl)-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)cyclopropane-1-carboxamide
CID 97018747
(Z)-2-cyano-3-[5-(furan-2-ylmethylsulfanyl)furan-2-yl]-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)prop-2-enamide
CID 170918915
2-cyano-3-[5-(furan-2-ylmethylsulfanyl)furan-2-yl]-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)prop-2-enamide
CID 171333528
N-(furan-2-ylmethyl)-5-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 46531297
5-chloro-N-(furan-2-ylmethyl)-2-methylsulfanylpyrimidine-4-carboxamide
CID 6463310
N-(furan-2-ylmethyl)pyrimidin-2-amine
CID 28514232
7-chloro-N-(furan-2-ylmethyl)-4-methyl-1,3-benzothiazol-2-amine
CID 45496421

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-3-methylsulfanyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(furan-2-ylmethyl)-3-methylsulfanyl-1,2,4-thiadiazol-5-amine (CID 126999868) is N-(furan-2-ylmethyl)-3-methylsulfanyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-3-methylsulfanyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-3-methylsulfanyl-1,2,4-thiadiazol-5-amine is CSc1nsc(NCc2ccco2)n1.
What is the InChIKey of N-(furan-2-ylmethyl)-3-methylsulfanyl-1,2,4-thiadiazol-5-amine?
The InChIKey is XBSBIEZQBSTQDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3OS2/c1-13-8-10-7(14-11-8)9-5-6-3-2-4-12-6/h2-4H,5H2,1H3,(H,9,10,11).
What are the key properties of N-(furan-2-ylmethyl)-3-methylsulfanyl-1,2,4-thiadiazol-5-amine?
N-(furan-2-ylmethyl)-3-methylsulfanyl-1,2,4-thiadiazol-5-amine has a molecular weight of 227.31 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-3-methylsulfanyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 126999868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).