(2R)-2-(benzylcarbamoylamino)-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]propanamide

C20H21N5O2S — CID 93106646

About (2R)-2-(benzylcarbamoylamino)-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]propanamide

(2R)-2-(benzylcarbamoylamino)-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]propanamide (PubChem CID 93106646) has the molecular formula C20H21N5O2S and a molecular weight of 395.49 g/mol. Its IUPAC name is (2R)-2-(benzylcarbamoylamino)-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]propanamide.

Molecular Properties

• Compound Name: (2R)-2-(benzylcarbamoylamino)-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]propanamide
• PubChem CID: 93106646
• Molecular Formula: C20H21N5O2S
• Molecular Weight: 395.49 g/mol
• Exact Mass: 395.14
• IUPAC Name: (2R)-2-(benzylcarbamoylamino)-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]propanamide
• SMILES: Cc1cccc(-c2nnc(NC(=O)[C@@H](C)NC(=O)NCc3ccccc3)s2)c1
• InChI: InChI=1S/C20H21N5O2S/c1-13-7-6-10-16(11-13)18-24-25-20(28-18)23-17(26)14(2)22-19(27)21-12-15-8-4-3-5-9-15/h3-11,14H,12H2,1-2H3,(H2,21,22,27)(H,23,25,26)/t14-/m1/s1
• InChIKey: RQXBFRXIVKSLFK-CQSZACIVSA-N
• XLogP: 3.34
• TPSA: 96.01 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.49
LogP ≤ 5	3.34
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(benzylcarbamoylamino)-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]propanamide?

The IUPAC name of (2R)-2-(benzylcarbamoylamino)-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]propanamide (CID 93106646) is (2R)-2-(benzylcarbamoylamino)-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]propanamide.

What is the SMILES notation for (2R)-2-(benzylcarbamoylamino)-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]propanamide?

The canonical SMILES for (2R)-2-(benzylcarbamoylamino)-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]propanamide is Cc1cccc(-c2nnc(NC(=O)[C@@H](C)NC(=O)NCc3ccccc3)s2)c1.

What is the InChIKey of (2R)-2-(benzylcarbamoylamino)-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]propanamide?

The InChIKey is RQXBFRXIVKSLFK-CQSZACIVSA-N. The full InChI is InChI=1S/C20H21N5O2S/c1-13-7-6-10-16(11-13)18-24-25-20(28-18)23-17(26)14(2)22-19(27)21-12-15-8-4-3-5-9-15/h3-11,14H,12H2,1-2H3,(H2,21,22,27)(H,23,25,26)/t14-/m1/s1.

What are the key properties of (2R)-2-(benzylcarbamoylamino)-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]propanamide?

(2R)-2-(benzylcarbamoylamino)-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]propanamide has a molecular weight of 395.49 g/mol, XLogP of 3.34, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-(benzylcarbamoylamino)-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]propanamide is sourced from PubChem (CID 93106646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).