2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-methyl-N-(4-methylcyclohexyl)acetamide

C17H24N4O2S2 — CID 24652965

IUPAC2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-methyl-N-(4-methylcyclohexyl)acetamide
SMILESCc1nc(C)c(-c2nnc(SCC(=O)N(C)C3CCC(C)CC3)o2)s1
InChIInChI=1S/C17H24N4O2S2/c1-10-5-7-13(8-6-10)21(4)14(22)9-24-17-20-19-16(23-17)15-11(2)18-12(3)25-15/h10,13H,5-9H2,1-4H3
InChIKeyHRKZLFVUGINRAR-UHFFFAOYSA-N
MW380.54 g/mol
LogP3.94
Rot. Bonds5

About 2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-methyl-N-(4-methylcyclohexyl)acetamide

2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-methyl-N-(4-methylcyclohexyl)acetamide (PubChem CID 24652965) has the molecular formula C17H24N4O2S2 and a molecular weight of 380.54 g/mol. Its IUPAC name is 2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-methyl-N-(4-methylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-methyl-N-(4-methylcyclohexyl)acetamide
PubChem CID24652965
Molecular FormulaC17H24N4O2S2
Molecular Weight380.54 g/mol
Exact Mass380.13
IUPAC Name2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-methyl-N-(4-methylcyclohexyl)acetamide
SMILESCc1nc(C)c(-c2nnc(SCC(=O)N(C)C3CCC(C)CC3)o2)s1
InChIInChI=1S/C17H24N4O2S2/c1-10-5-7-13(8-6-10)21(4)14(22)9-24-17-20-19-16(23-17)15-11(2)18-12(3)25-15/h10,13H,5-9H2,1-4H3
InChIKeyHRKZLFVUGINRAR-UHFFFAOYSA-N
XLogP3.94
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.54
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-methyl-N-(4-methylcyclohexyl)acetamide?
The IUPAC name of 2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-methyl-N-(4-methylcyclohexyl)acetamide (CID 24652965) is 2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-methyl-N-(4-methylcyclohexyl)acetamide.
What is the SMILES notation for 2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-methyl-N-(4-methylcyclohexyl)acetamide?
The canonical SMILES for 2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-methyl-N-(4-methylcyclohexyl)acetamide is Cc1nc(C)c(-c2nnc(SCC(=O)N(C)C3CCC(C)CC3)o2)s1.
What is the InChIKey of 2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-methyl-N-(4-methylcyclohexyl)acetamide?
The InChIKey is HRKZLFVUGINRAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2S2/c1-10-5-7-13(8-6-10)21(4)14(22)9-24-17-20-19-16(23-17)15-11(2)18-12(3)25-15/h10,13H,5-9H2,1-4H3.
What are the key properties of 2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-methyl-N-(4-methylcyclohexyl)acetamide?
2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-methyl-N-(4-methylcyclohexyl)acetamide has a molecular weight of 380.54 g/mol, XLogP of 3.94, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-methyl-N-(4-methylcyclohexyl)acetamide is sourced from PubChem (CID 24652965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).