N-(5-chloro-2,4-dimethoxyphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide

C14H16ClN3O3S2 — CID 23970433

About N-(5-chloro-2,4-dimethoxyphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide

N-(5-chloro-2,4-dimethoxyphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide (PubChem CID 23970433) has the molecular formula C14H16ClN3O3S2 and a molecular weight of 373.89 g/mol. Its IUPAC name is N-(5-chloro-2,4-dimethoxyphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide.

Molecular Properties

• Compound Name: N-(5-chloro-2,4-dimethoxyphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
• PubChem CID: 23970433
• Molecular Formula: C14H16ClN3O3S2
• Molecular Weight: 373.89 g/mol
• Exact Mass: 373.03
• IUPAC Name: N-(5-chloro-2,4-dimethoxyphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
• SMILES: COc1cc(OC)c(NC(=O)C(C)Sc2nnc(C)s2)cc1Cl
• InChI: InChI=1S/C14H16ClN3O3S2/c1-7(22-14-18-17-8(2)23-14)13(19)16-10-5-9(15)11(20-3)6-12(10)21-4/h5-7H,1-4H3,(H,16,19)
• InChIKey: WCKGCZBYBFOTTM-UHFFFAOYSA-N
• XLogP: 3.64
• TPSA: 73.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	373.89
LogP ≤ 5	3.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide?

The IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide (CID 23970433) is N-(5-chloro-2,4-dimethoxyphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide.

What is the SMILES notation for N-(5-chloro-2,4-dimethoxyphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide?

The canonical SMILES for N-(5-chloro-2,4-dimethoxyphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide is COc1cc(OC)c(NC(=O)C(C)Sc2nnc(C)s2)cc1Cl.

What is the InChIKey of N-(5-chloro-2,4-dimethoxyphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide?

The InChIKey is WCKGCZBYBFOTTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O3S2/c1-7(22-14-18-17-8(2)23-14)13(19)16-10-5-9(15)11(20-3)6-12(10)21-4/h5-7H,1-4H3,(H,16,19).

What are the key properties of N-(5-chloro-2,4-dimethoxyphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide?

N-(5-chloro-2,4-dimethoxyphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide has a molecular weight of 373.89 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-chloro-2,4-dimethoxyphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide is sourced from PubChem (CID 23970433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).