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

C8H11N5S2 — CID 66154530

IUPAC5-[(3-ethylimidazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
SMILESCCn1cncc1CSc1nnc(N)s1
InChIInChI=1S/C8H11N5S2/c1-2-13-5-10-3-6(13)4-14-8-12-11-7(9)15-8/h3,5H,2,4H2,1H3,(H2,9,11)
InChIKeyOIDVZUMLPVHUPD-UHFFFAOYSA-N
MW241.34 g/mol
LogP1.63
Rot. Bonds4

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

5-[(3-ethylimidazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine (PubChem CID 66154530) has the molecular formula C8H11N5S2 and a molecular weight of 241.34 g/mol. Its IUPAC name is 5-[(3-ethylimidazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[(3-ethylimidazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
PubChem CID66154530
Molecular FormulaC8H11N5S2
Molecular Weight241.34 g/mol
Exact Mass241.05
IUPAC Name5-[(3-ethylimidazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
SMILESCCn1cncc1CSc1nnc(N)s1
InChIInChI=1S/C8H11N5S2/c1-2-13-5-10-3-6(13)4-14-8-12-11-7(9)15-8/h3,5H,2,4H2,1H3,(H2,9,11)
InChIKeyOIDVZUMLPVHUPD-UHFFFAOYSA-N
XLogP1.63
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-[[1-ethyl-4-(trifluoromethyl)pyrazol-5-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 86207787
3-[(3-ethylimidazol-4-yl)methylsulfanyl]-5-fluoroaniline
CID 66152989
2-[(3-ethylimidazol-4-yl)methylsulfanyl]-5-methylaniline
CID 66154918
3-bromo-4-[(3-ethylimidazol-4-yl)methylsulfanyl]aniline
CID 82841475
5-[(1-pentan-3-ylpyrazol-3-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 64786093
ethane;5-propylsulfanyl-1,3,4-thiadiazol-2-amine
CID 142119097
5-(furan-3-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine
CID 83172117
5-(2H-triazol-4-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine
CID 130884607
4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]thiophene-2-carbaldehyde
CID 9430122
5-[(1-propyltetrazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 9199499
5-(thiophen-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine
CID 4962191
methyl 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate
CID 7784001

Frequently Asked Questions

What is the IUPAC name of 5-[(3-ethylimidazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[(3-ethylimidazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine (CID 66154530) is 5-[(3-ethylimidazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[(3-ethylimidazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[(3-ethylimidazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine is CCn1cncc1CSc1nnc(N)s1.
What is the InChIKey of 5-[(3-ethylimidazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is OIDVZUMLPVHUPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5S2/c1-2-13-5-10-3-6(13)4-14-8-12-11-7(9)15-8/h3,5H,2,4H2,1H3,(H2,9,11).
What are the key properties of 5-[(3-ethylimidazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?
5-[(3-ethylimidazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 241.34 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-ethylimidazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 66154530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).