N-[2-(1-methylimidazol-4-yl)ethyl]-1,3,4-thiadiazol-2-amine

C8H11N5S — CID 130655302

IUPACN-[2-(1-methylimidazol-4-yl)ethyl]-1,3,4-thiadiazol-2-amine
SMILESCn1cnc(CCNc2nncs2)c1
InChIInChI=1S/C8H11N5S/c1-13-4-7(10-5-13)2-3-9-8-12-11-6-14-8/h4-6H,2-3H2,1H3,(H,9,12)
InChIKeyGSBTWLDLMFQOSE-UHFFFAOYSA-N
MW209.28 g/mol
LogP0.93
Rot. Bonds4

About N-[2-(1-methylimidazol-4-yl)ethyl]-1,3,4-thiadiazol-2-amine

N-[2-(1-methylimidazol-4-yl)ethyl]-1,3,4-thiadiazol-2-amine (PubChem CID 130655302) has the molecular formula C8H11N5S and a molecular weight of 209.28 g/mol. Its IUPAC name is N-[2-(1-methylimidazol-4-yl)ethyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[2-(1-methylimidazol-4-yl)ethyl]-1,3,4-thiadiazol-2-amine
PubChem CID130655302
Molecular FormulaC8H11N5S
Molecular Weight209.28 g/mol
Exact Mass209.07
IUPAC NameN-[2-(1-methylimidazol-4-yl)ethyl]-1,3,4-thiadiazol-2-amine
SMILESCn1cnc(CCNc2nncs2)c1
InChIInChI=1S/C8H11N5S/c1-13-4-7(10-5-13)2-3-9-8-12-11-6-14-8/h4-6H,2-3H2,1H3,(H,9,12)
InChIKeyGSBTWLDLMFQOSE-UHFFFAOYSA-N
XLogP0.93
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.28
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylimidazol-4-yl)ethyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[2-(1-methylimidazol-4-yl)ethyl]-1,3,4-thiadiazol-2-amine (CID 130655302) is N-[2-(1-methylimidazol-4-yl)ethyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[2-(1-methylimidazol-4-yl)ethyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[2-(1-methylimidazol-4-yl)ethyl]-1,3,4-thiadiazol-2-amine is Cn1cnc(CCNc2nncs2)c1.
What is the InChIKey of N-[2-(1-methylimidazol-4-yl)ethyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is GSBTWLDLMFQOSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5S/c1-13-4-7(10-5-13)2-3-9-8-12-11-6-14-8/h4-6H,2-3H2,1H3,(H,9,12).
What are the key properties of N-[2-(1-methylimidazol-4-yl)ethyl]-1,3,4-thiadiazol-2-amine?
N-[2-(1-methylimidazol-4-yl)ethyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 209.28 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylimidazol-4-yl)ethyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 130655302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).