N-[(1S)-1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-3-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide

C14H15N7O2S2 — CID 124756585

About N-[(1S)-1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-3-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide

N-[(1S)-1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-3-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide (PubChem CID 124756585) has the molecular formula C14H15N7O2S2 and a molecular weight of 377.46 g/mol. Its IUPAC name is N-[(1S)-1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-3-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide.

Molecular Properties

• Compound Name: N-[(1S)-1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-3-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
• PubChem CID: 124756585
• Molecular Formula: C14H15N7O2S2
• Molecular Weight: 377.46 g/mol
• Exact Mass: 377.07
• IUPAC Name: N-[(1S)-1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-3-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
• SMILES: C[C@H](NC(=O)CCSc1nnc(-c2ccncc2)o1)c1nnc(N)s1
• InChI: InChI=1S/C14H15N7O2S2/c1-8(12-19-20-13(15)25-12)17-10(22)4-7-24-14-21-18-11(23-14)9-2-5-16-6-3-9/h2-3,5-6,8H,4,7H2,1H3,(H2,15,20)(H,17,22)/t8-/m0/s1
• InChIKey: TXNDDJCMFVDCJD-QMMMGPOBSA-N
• XLogP: 1.92
• TPSA: 132.71 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	377.46
LogP ≤ 5	1.92
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-3-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide?

The IUPAC name of N-[(1S)-1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-3-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide (CID 124756585) is N-[(1S)-1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-3-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide.

What is the SMILES notation for N-[(1S)-1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-3-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide?

The canonical SMILES for N-[(1S)-1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-3-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide is C[C@H](NC(=O)CCSc1nnc(-c2ccncc2)o1)c1nnc(N)s1.

What is the InChIKey of N-[(1S)-1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-3-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide?

The InChIKey is TXNDDJCMFVDCJD-QMMMGPOBSA-N. The full InChI is InChI=1S/C14H15N7O2S2/c1-8(12-19-20-13(15)25-12)17-10(22)4-7-24-14-21-18-11(23-14)9-2-5-16-6-3-9/h2-3,5-6,8H,4,7H2,1H3,(H2,15,20)(H,17,22)/t8-/m0/s1.

What are the key properties of N-[(1S)-1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-3-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide?

N-[(1S)-1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-3-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide has a molecular weight of 377.46 g/mol, XLogP of 1.92, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-3-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide is sourced from PubChem (CID 124756585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).