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

C14H17N5S — CID 107647818

IUPAC5-ethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]-1,3,4-thiadiazol-2-amine
SMILESCCc1nnc(NC(C)c2nc3ccccc3n2C)s1
InChIInChI=1S/C14H17N5S/c1-4-12-17-18-14(20-12)15-9(2)13-16-10-7-5-6-8-11(10)19(13)3/h5-9H,4H2,1-3H3,(H,15,18)
InChIKeyZODHJEZZJNUHOE-UHFFFAOYSA-N
MW287.39 g/mol
LogP3.16
Rot. Bonds4

About 5-ethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]-1,3,4-thiadiazol-2-amine

5-ethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]-1,3,4-thiadiazol-2-amine (PubChem CID 107647818) has the molecular formula C14H17N5S and a molecular weight of 287.39 g/mol. Its IUPAC name is 5-ethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-ethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]-1,3,4-thiadiazol-2-amine
PubChem CID107647818
Molecular FormulaC14H17N5S
Molecular Weight287.39 g/mol
Exact Mass287.12
IUPAC Name5-ethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]-1,3,4-thiadiazol-2-amine
SMILESCCc1nnc(NC(C)c2nc3ccccc3n2C)s1
InChIInChI=1S/C14H17N5S/c1-4-12-17-18-14(20-12)15-9(2)13-16-10-7-5-6-8-11(10)19(13)3/h5-9H,4H2,1-3H3,(H,15,18)
InChIKeyZODHJEZZJNUHOE-UHFFFAOYSA-N
XLogP3.16
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-ethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]-1,3,4-thiadiazol-2-amine (CID 107647818) is 5-ethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-ethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-ethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]-1,3,4-thiadiazol-2-amine is CCc1nnc(NC(C)c2nc3ccccc3n2C)s1.
What is the InChIKey of 5-ethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is ZODHJEZZJNUHOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5S/c1-4-12-17-18-14(20-12)15-9(2)13-16-10-7-5-6-8-11(10)19(13)3/h5-9H,4H2,1-3H3,(H,15,18).
What are the key properties of 5-ethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]-1,3,4-thiadiazol-2-amine?
5-ethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 287.39 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 107647818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).