2-[4-[(2R)-2-cyclopropyl-2-hydroxyethyl]piperazin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide

C14H23N5O2S — CID 97038969

About 2-[4-[(2R)-2-cyclopropyl-2-hydroxyethyl]piperazin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide

2-[4-[(2R)-2-cyclopropyl-2-hydroxyethyl]piperazin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 97038969) has the molecular formula C14H23N5O2S and a molecular weight of 325.44 g/mol. Its IUPAC name is 2-[4-[(2R)-2-cyclopropyl-2-hydroxyethyl]piperazin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

• Compound Name: 2-[4-[(2R)-2-cyclopropyl-2-hydroxyethyl]piperazin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
• PubChem CID: 97038969
• Molecular Formula: C14H23N5O2S
• Molecular Weight: 325.44 g/mol
• Exact Mass: 325.16
• IUPAC Name: 2-[4-[(2R)-2-cyclopropyl-2-hydroxyethyl]piperazin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
• SMILES: Cc1nnc(NC(=O)CN2CCN(C[C@H](O)C3CC3)CC2)s1
• InChI: InChI=1S/C14H23N5O2S/c1-10-16-17-14(22-10)15-13(21)9-19-6-4-18(5-7-19)8-12(20)11-2-3-11/h11-12,20H,2-9H2,1H3,(H,15,17,21)/t12-/m0/s1
• InChIKey: XAWMTXZDGREXOG-LBPRGKRZSA-N
• XLogP: 0.17
• TPSA: 81.59 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	325.44
LogP ≤ 5	0.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2R)-2-cyclopropyl-2-hydroxyethyl]piperazin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?

The IUPAC name of 2-[4-[(2R)-2-cyclopropyl-2-hydroxyethyl]piperazin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide (CID 97038969) is 2-[4-[(2R)-2-cyclopropyl-2-hydroxyethyl]piperazin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide.

What is the SMILES notation for 2-[4-[(2R)-2-cyclopropyl-2-hydroxyethyl]piperazin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?

The canonical SMILES for 2-[4-[(2R)-2-cyclopropyl-2-hydroxyethyl]piperazin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide is Cc1nnc(NC(=O)CN2CCN(C[C@H](O)C3CC3)CC2)s1.

What is the InChIKey of 2-[4-[(2R)-2-cyclopropyl-2-hydroxyethyl]piperazin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?

The InChIKey is XAWMTXZDGREXOG-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H23N5O2S/c1-10-16-17-14(22-10)15-13(21)9-19-6-4-18(5-7-19)8-12(20)11-2-3-11/h11-12,20H,2-9H2,1H3,(H,15,17,21)/t12-/m0/s1.

What are the key properties of 2-[4-[(2R)-2-cyclopropyl-2-hydroxyethyl]piperazin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?

2-[4-[(2R)-2-cyclopropyl-2-hydroxyethyl]piperazin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 325.44 g/mol, XLogP of 0.17, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[(2R)-2-cyclopropyl-2-hydroxyethyl]piperazin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 97038969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).