2-[[5-[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide

C14H13N5O2S3 — CID 135744581

About 2-[[5-[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide

2-[[5-[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide (PubChem CID 135744581) has the molecular formula C14H13N5O2S3 and a molecular weight of 379.49 g/mol. Its IUPAC name is 2-[[5-[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

• Compound Name: 2-[[5-[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
• PubChem CID: 135744581
• Molecular Formula: C14H13N5O2S3
• Molecular Weight: 379.49 g/mol
• Exact Mass: 379.02
• IUPAC Name: 2-[[5-[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
• SMILES: C[C@H](Sc1nnc(SCC(N)=O)s1)c1nc2ccccc2c(=O)[nH]1
• InChI: InChI=1S/C14H13N5O2S3/c1-7(23-14-19-18-13(24-14)22-6-10(15)20)11-16-9-5-3-2-4-8(9)12(21)17-11/h2-5,7H,6H2,1H3,(H2,15,20)(H,16,17,21)/t7-/m0/s1
• InChIKey: SGKIBAIMALKJAN-ZETCQYMHSA-N
• XLogP: 2.21
• TPSA: 114.62 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	379.49
LogP ≤ 5	2.21
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?

The IUPAC name of 2-[[5-[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide (CID 135744581) is 2-[[5-[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide.

What is the SMILES notation for 2-[[5-[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?

The canonical SMILES for 2-[[5-[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide is C[C@H](Sc1nnc(SCC(N)=O)s1)c1nc2ccccc2c(=O)[nH]1.

What is the InChIKey of 2-[[5-[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?

The InChIKey is SGKIBAIMALKJAN-ZETCQYMHSA-N. The full InChI is InChI=1S/C14H13N5O2S3/c1-7(23-14-19-18-13(24-14)22-6-10(15)20)11-16-9-5-3-2-4-8(9)12(21)17-11/h2-5,7H,6H2,1H3,(H2,15,20)(H,16,17,21)/t7-/m0/s1.

What are the key properties of 2-[[5-[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?

2-[[5-[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 379.49 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[5-[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 135744581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).