5-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine

C16H17ClN4OS2 — CID 30932079

About 5-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine

5-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine (PubChem CID 30932079) has the molecular formula C16H17ClN4OS2 and a molecular weight of 380.93 g/mol. Its IUPAC name is 5-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

• Compound Name: 5-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
• PubChem CID: 30932079
• Molecular Formula: C16H17ClN4OS2
• Molecular Weight: 380.93 g/mol
• Exact Mass: 380.05
• IUPAC Name: 5-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
• SMILES: CC(C)CNc1nnc(SCc2ncc(-c3cccc(Cl)c3)o2)s1
• InChI: InChI=1S/C16H17ClN4OS2/c1-10(2)7-19-15-20-21-16(24-15)23-9-14-18-8-13(22-14)11-4-3-5-12(17)6-11/h3-6,8,10H,7,9H2,1-2H3,(H,19,20)
• InChIKey: HCXDPPDMGJWCLJ-UHFFFAOYSA-N
• XLogP: 5.21
• TPSA: 63.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	380.93
LogP ≤ 5	5.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine?

The IUPAC name of 5-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine (CID 30932079) is 5-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine.

What is the SMILES notation for 5-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine?

The canonical SMILES for 5-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine is CC(C)CNc1nnc(SCc2ncc(-c3cccc(Cl)c3)o2)s1.

What is the InChIKey of 5-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine?

The InChIKey is HCXDPPDMGJWCLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4OS2/c1-10(2)7-19-15-20-21-16(24-15)23-9-14-18-8-13(22-14)11-4-3-5-12(17)6-11/h3-6,8,10H,7,9H2,1-2H3,(H,19,20).

What are the key properties of 5-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine?

5-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 380.93 g/mol, XLogP of 5.21, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 30932079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).