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

C12H18N6S2 — CID 126600063

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

5-[[(1R,3S)-3-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]cyclopentyl]methyl]-1,3,4-thiadiazol-2-amine (PubChem CID 126600063) has the molecular formula C12H18N6S2 and a molecular weight of 310.45 g/mol. Its IUPAC name is 5-[[(1R,3S)-3-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]cyclopentyl]methyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

• Compound Name: 5-[[(1R,3S)-3-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]cyclopentyl]methyl]-1,3,4-thiadiazol-2-amine
• PubChem CID: 126600063
• Molecular Formula: C12H18N6S2
• Molecular Weight: 310.45 g/mol
• Exact Mass: 310.10
• IUPAC Name: 5-[[(1R,3S)-3-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]cyclopentyl]methyl]-1,3,4-thiadiazol-2-amine
• SMILES: CCNc1nnc([C@H]2CC[C@@H](Cc3nnc(N)s3)C2)s1
• InChI: 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)/t7-,8+/m1/s1
• InChIKey: KQDOKJFARCSDJD-SFYZADRCSA-N
• XLogP: 2.53
• TPSA: 89.61 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	310.45
LogP ≤ 5	2.53
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-[[(1R,3S)-3-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]cyclopentyl]methyl]-1,3,4-thiadiazol-2-amine?

The IUPAC name of 5-[[(1R,3S)-3-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]cyclopentyl]methyl]-1,3,4-thiadiazol-2-amine (CID 126600063) is 5-[[(1R,3S)-3-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]cyclopentyl]methyl]-1,3,4-thiadiazol-2-amine.

What is the SMILES notation for 5-[[(1R,3S)-3-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]cyclopentyl]methyl]-1,3,4-thiadiazol-2-amine?

The canonical SMILES for 5-[[(1R,3S)-3-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]cyclopentyl]methyl]-1,3,4-thiadiazol-2-amine is CCNc1nnc([C@H]2CC[C@@H](Cc3nnc(N)s3)C2)s1.

What is the InChIKey of 5-[[(1R,3S)-3-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]cyclopentyl]methyl]-1,3,4-thiadiazol-2-amine?

The InChIKey is KQDOKJFARCSDJD-SFYZADRCSA-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)/t7-,8+/m1/s1.

What are the key properties of 5-[[(1R,3S)-3-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]cyclopentyl]methyl]-1,3,4-thiadiazol-2-amine?

5-[[(1R,3S)-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-[[(1R,3S)-3-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]cyclopentyl]methyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 126600063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).