5-[[3-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]cyclopentyl]methyl]-1,3,4-thiadiazol-2-amine

C12H18N6S2 — CID 126600065

IUPAC5-[[3-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]cyclopentyl]methyl]-1,3,4-thiadiazol-2-amine
SMILESCCNc1nnc(C2CCC(Cc3nnc(N)s3)C2)s1
InChIInChI=1S/C12H18N6S2/c1-2-14-12-18-16-10(20-12)8-4-3-7(5-8)6-9-15-17-11(13)19-9/h7-8H,2-6H2,1H3,(H2,13,17)(H,14,18)
InChIKeyKQDOKJFARCSDJD-UHFFFAOYSA-N
MW310.45 g/mol
LogP2.53
Rot. Bonds5

About 5-[[3-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]cyclopentyl]methyl]-1,3,4-thiadiazol-2-amine

5-[[3-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]cyclopentyl]methyl]-1,3,4-thiadiazol-2-amine (PubChem CID 126600065) has the molecular formula C12H18N6S2 and a molecular weight of 310.45 g/mol. Its IUPAC name is 5-[[3-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]cyclopentyl]methyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[[3-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]cyclopentyl]methyl]-1,3,4-thiadiazol-2-amine
PubChem CID126600065
Molecular FormulaC12H18N6S2
Molecular Weight310.45 g/mol
Exact Mass310.10
IUPAC Name5-[[3-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]cyclopentyl]methyl]-1,3,4-thiadiazol-2-amine
SMILESCCNc1nnc(C2CCC(Cc3nnc(N)s3)C2)s1
InChIInChI=1S/C12H18N6S2/c1-2-14-12-18-16-10(20-12)8-4-3-7(5-8)6-9-15-17-11(13)19-9/h7-8H,2-6H2,1H3,(H2,13,17)(H,14,18)
InChIKeyKQDOKJFARCSDJD-UHFFFAOYSA-N
XLogP2.53
TPSA89.61 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.45
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-[[3-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]cyclopentyl]methyl]-1,3,4-thiadiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[[3-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]cyclopentyl]methyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[[3-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]cyclopentyl]methyl]-1,3,4-thiadiazol-2-amine (CID 126600065) is 5-[[3-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]cyclopentyl]methyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[[3-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]cyclopentyl]methyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[[3-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]cyclopentyl]methyl]-1,3,4-thiadiazol-2-amine is CCNc1nnc(C2CCC(Cc3nnc(N)s3)C2)s1.
What is the InChIKey of 5-[[3-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]cyclopentyl]methyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is KQDOKJFARCSDJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6S2/c1-2-14-12-18-16-10(20-12)8-4-3-7(5-8)6-9-15-17-11(13)19-9/h7-8H,2-6H2,1H3,(H2,13,17)(H,14,18).
What are the key properties of 5-[[3-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]cyclopentyl]methyl]-1,3,4-thiadiazol-2-amine?
5-[[3-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]cyclopentyl]methyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 310.45 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]cyclopentyl]methyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 126600065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).