(2R)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-phenylacetamide

C20H17N5O2S3 — CID 124846788

About (2R)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-phenylacetamide

(2R)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-phenylacetamide (PubChem CID 124846788) has the molecular formula C20H17N5O2S3 and a molecular weight of 455.59 g/mol. Its IUPAC name is (2R)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-phenylacetamide.

Molecular Properties

• Compound Name: (2R)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-phenylacetamide
• PubChem CID: 124846788
• Molecular Formula: C20H17N5O2S3
• Molecular Weight: 455.59 g/mol
• Exact Mass: 455.05
• IUPAC Name: (2R)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-phenylacetamide
• SMILES: COc1ccc(-c2csc(NC(=O)[C@H](Sc3nnc(N)s3)c3ccccc3)n2)cc1
• InChI: InChI=1S/C20H17N5O2S3/c1-27-14-9-7-12(8-10-14)15-11-28-19(22-15)23-17(26)16(13-5-3-2-4-6-13)29-20-25-24-18(21)30-20/h2-11,16H,1H3,(H2,21,24)(H,22,23,26)/t16-/m1/s1
• InChIKey: JKEJEJQIJJKRJY-MRXNPFEDSA-N
• XLogP: 4.72
• TPSA: 103.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	455.59
LogP ≤ 5	4.72
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-phenylacetamide?

The IUPAC name of (2R)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-phenylacetamide (CID 124846788) is (2R)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-phenylacetamide.

What is the SMILES notation for (2R)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-phenylacetamide?

The canonical SMILES for (2R)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-phenylacetamide is COc1ccc(-c2csc(NC(=O)[C@H](Sc3nnc(N)s3)c3ccccc3)n2)cc1.

What is the InChIKey of (2R)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-phenylacetamide?

The InChIKey is JKEJEJQIJJKRJY-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H17N5O2S3/c1-27-14-9-7-12(8-10-14)15-11-28-19(22-15)23-17(26)16(13-5-3-2-4-6-13)29-20-25-24-18(21)30-20/h2-11,16H,1H3,(H2,21,24)(H,22,23,26)/t16-/m1/s1.

What are the key properties of (2R)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-phenylacetamide?

(2R)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-phenylacetamide has a molecular weight of 455.59 g/mol, XLogP of 4.72, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-phenylacetamide is sourced from PubChem (CID 124846788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).