(2R)-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-[(4-ethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide

C15H18N6OS2 — CID 27234743

About (2R)-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-[(4-ethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide

(2R)-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-[(4-ethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide (PubChem CID 27234743) has the molecular formula C15H18N6OS2 and a molecular weight of 362.48 g/mol. Its IUPAC name is (2R)-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-[(4-ethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide.

Molecular Properties

• Compound Name: (2R)-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-[(4-ethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide
• PubChem CID: 27234743
• Molecular Formula: C15H18N6OS2
• Molecular Weight: 362.48 g/mol
• Exact Mass: 362.10
• IUPAC Name: (2R)-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-[(4-ethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide
• SMILES: CCn1c(S[C@H](C)C(=O)NC2=NCCS2)nnc1-c1cccnc1
• InChI: InChI=1S/C15H18N6OS2/c1-3-21-12(11-5-4-6-16-9-11)19-20-15(21)24-10(2)13(22)18-14-17-7-8-23-14/h4-6,9-10H,3,7-8H2,1-2H3,(H,17,18,22)/t10-/m1/s1
• InChIKey: RRZONIMLUFNPBG-SNVBAGLBSA-N
• XLogP: 2.06
• TPSA: 85.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	362.48
LogP ≤ 5	2.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-[(4-ethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide?

The IUPAC name of (2R)-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-[(4-ethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide (CID 27234743) is (2R)-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-[(4-ethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide.

What is the SMILES notation for (2R)-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-[(4-ethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide?

The canonical SMILES for (2R)-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-[(4-ethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide is CCn1c(S[C@H](C)C(=O)NC2=NCCS2)nnc1-c1cccnc1.

What is the InChIKey of (2R)-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-[(4-ethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide?

The InChIKey is RRZONIMLUFNPBG-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H18N6OS2/c1-3-21-12(11-5-4-6-16-9-11)19-20-15(21)24-10(2)13(22)18-14-17-7-8-23-14/h4-6,9-10H,3,7-8H2,1-2H3,(H,17,18,22)/t10-/m1/s1.

What are the key properties of (2R)-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-[(4-ethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide?

(2R)-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-[(4-ethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide has a molecular weight of 362.48 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-[(4-ethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide is sourced from PubChem (CID 27234743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).