5-methyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-1,3,4-thiadiazol-2-amine

C10H13N3OS2 — CID 103934147

IUPAC5-methyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-1,3,4-thiadiazol-2-amine
SMILESCSCc1ccc(CNc2nnc(C)s2)o1
InChIInChI=1S/C10H13N3OS2/c1-7-12-13-10(16-7)11-5-8-3-4-9(14-8)6-15-2/h3-4H,5-6H2,1-2H3,(H,11,13)
InChIKeyZOLJFGQYDOLOLO-UHFFFAOYSA-N
MW255.37 g/mol
LogP2.91
Rot. Bonds5

About 5-methyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-1,3,4-thiadiazol-2-amine

5-methyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-1,3,4-thiadiazol-2-amine (PubChem CID 103934147) has the molecular formula C10H13N3OS2 and a molecular weight of 255.37 g/mol. Its IUPAC name is 5-methyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-methyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-1,3,4-thiadiazol-2-amine
PubChem CID103934147
Molecular FormulaC10H13N3OS2
Molecular Weight255.37 g/mol
Exact Mass255.05
IUPAC Name5-methyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-1,3,4-thiadiazol-2-amine
SMILESCSCc1ccc(CNc2nnc(C)s2)o1
InChIInChI=1S/C10H13N3OS2/c1-7-12-13-10(16-7)11-5-8-3-4-9(14-8)6-15-2/h3-4H,5-6H2,1-2H3,(H,11,13)
InChIKeyZOLJFGQYDOLOLO-UHFFFAOYSA-N
XLogP2.91
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-5-methyl-1,3,4-thiadiazol-2-amine
CID 113354595
5-methyl-N-(1,2-oxazol-5-ylmethyl)-1,3,4-thiadiazol-2-amine
CID 106418955
N-(1-benzofuran-2-ylmethyl)-5-methyl-1,3,4-thiadiazol-2-amine
CID 113240485
5-methyl-N-[(5-methylthiophen-2-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 64982707
N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
CID 103934023
4-bromo-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]aniline
CID 43762796
3-methyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]aniline
CID 43755673
5-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 65209607
2-chloro-4-methyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]pyridin-3-amine
CID 65484519
N-[(4-fluorophenyl)methyl]-5-methyl-1,3,4-thiadiazol-2-amine
CID 64913971
5-methyl-N-(thiophen-3-ylmethyl)-1,3,4-thiadiazol-2-amine
CID 64982615
5-methyl-N-(1,3-thiazol-5-ylmethyl)-1,3,4-thiadiazol-2-amine
CID 115924966

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-methyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-1,3,4-thiadiazol-2-amine (CID 103934147) is 5-methyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-methyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-methyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-1,3,4-thiadiazol-2-amine is CSCc1ccc(CNc2nnc(C)s2)o1.
What is the InChIKey of 5-methyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is ZOLJFGQYDOLOLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3OS2/c1-7-12-13-10(16-7)11-5-8-3-4-9(14-8)6-15-2/h3-4H,5-6H2,1-2H3,(H,11,13).
What are the key properties of 5-methyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-1,3,4-thiadiazol-2-amine?
5-methyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 255.37 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 103934147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).