5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine

C10H11N3OS2 — CID 673902

IUPAC5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
SMILESCOc1ccc(CSc2nnc(N)s2)cc1
InChIInChI=1S/C10H11N3OS2/c1-14-8-4-2-7(3-5-8)6-15-10-13-12-9(11)16-10/h2-5H,6H2,1H3,(H2,11,12)
InChIKeyINEOZHDEAZZDAA-UHFFFAOYSA-N
MW253.35 g/mol
LogP2.42
Rot. Bonds4

About 5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine

5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine (PubChem CID 673902) has the molecular formula C10H11N3OS2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
PubChem CID673902
Molecular FormulaC10H11N3OS2
Molecular Weight253.35 g/mol
Exact Mass253.03
IUPAC Name5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
SMILESCOc1ccc(CSc2nnc(N)s2)cc1
InChIInChI=1S/C10H11N3OS2/c1-14-8-4-2-7(3-5-8)6-15-10-13-12-9(11)16-10/h2-5H,6H2,1H3,(H2,11,12)
InChIKeyINEOZHDEAZZDAA-UHFFFAOYSA-N
XLogP2.42
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine (CID 673902) is 5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine is COc1ccc(CSc2nnc(N)s2)cc1.
What is the InChIKey of 5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is INEOZHDEAZZDAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3OS2/c1-14-8-4-2-7(3-5-8)6-15-10-13-12-9(11)16-10/h2-5H,6H2,1H3,(H2,11,12).
What are the key properties of 5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?
5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 253.35 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 673902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).