N-[(3-ethylimidazol-4-yl)methyl]thiadiazol-5-amine

C8H11N5S — CID 107649117

IUPACN-[(3-ethylimidazol-4-yl)methyl]thiadiazol-5-amine
SMILESCCn1cncc1CNc1cnns1
InChIInChI=1S/C8H11N5S/c1-2-13-6-9-3-7(13)4-10-8-5-11-12-14-8/h3,5-6,10H,2,4H2,1H3
InChIKeyPSXUPOVFIYEORU-UHFFFAOYSA-N
MW209.28 g/mol
LogP1.37
Rot. Bonds4

About N-[(3-ethylimidazol-4-yl)methyl]thiadiazol-5-amine

N-[(3-ethylimidazol-4-yl)methyl]thiadiazol-5-amine (PubChem CID 107649117) has the molecular formula C8H11N5S and a molecular weight of 209.28 g/mol. Its IUPAC name is N-[(3-ethylimidazol-4-yl)methyl]thiadiazol-5-amine.

Molecular Properties

Compound NameN-[(3-ethylimidazol-4-yl)methyl]thiadiazol-5-amine
PubChem CID107649117
Molecular FormulaC8H11N5S
Molecular Weight209.28 g/mol
Exact Mass209.07
IUPAC NameN-[(3-ethylimidazol-4-yl)methyl]thiadiazol-5-amine
SMILESCCn1cncc1CNc1cnns1
InChIInChI=1S/C8H11N5S/c1-2-13-6-9-3-7(13)4-10-8-5-11-12-14-8/h3,5-6,10H,2,4H2,1H3
InChIKeyPSXUPOVFIYEORU-UHFFFAOYSA-N
XLogP1.37
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 ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3-ethylimidazol-4-yl)methyl]thiadiazol-5-amine?
The IUPAC name of N-[(3-ethylimidazol-4-yl)methyl]thiadiazol-5-amine (CID 107649117) is N-[(3-ethylimidazol-4-yl)methyl]thiadiazol-5-amine.
What is the SMILES notation for N-[(3-ethylimidazol-4-yl)methyl]thiadiazol-5-amine?
The canonical SMILES for N-[(3-ethylimidazol-4-yl)methyl]thiadiazol-5-amine is CCn1cncc1CNc1cnns1.
What is the InChIKey of N-[(3-ethylimidazol-4-yl)methyl]thiadiazol-5-amine?
The InChIKey is PSXUPOVFIYEORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5S/c1-2-13-6-9-3-7(13)4-10-8-5-11-12-14-8/h3,5-6,10H,2,4H2,1H3.
What are the key properties of N-[(3-ethylimidazol-4-yl)methyl]thiadiazol-5-amine?
N-[(3-ethylimidazol-4-yl)methyl]thiadiazol-5-amine has a molecular weight of 209.28 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethylimidazol-4-yl)methyl]thiadiazol-5-amine is sourced from PubChem (CID 107649117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).