N-(cyclohexen-1-yl)-2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-ethylacetamide

C17H22N4O2S2 — CID 24652963

IUPACN-(cyclohexen-1-yl)-2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-ethylacetamide
SMILESCCN(C(=O)CSc1nnc(-c2sc(C)nc2C)o1)C1=CCCCC1
InChIInChI=1S/C17H22N4O2S2/c1-4-21(13-8-6-5-7-9-13)14(22)10-24-17-20-19-16(23-17)15-11(2)18-12(3)25-15/h8H,4-7,9-10H2,1-3H3
InChIKeyVFTOFFZEBYQDLH-UHFFFAOYSA-N
MW378.52 g/mol
LogP4.21
Rot. Bonds6

About N-(cyclohexen-1-yl)-2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-ethylacetamide

N-(cyclohexen-1-yl)-2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-ethylacetamide (PubChem CID 24652963) has the molecular formula C17H22N4O2S2 and a molecular weight of 378.52 g/mol. Its IUPAC name is N-(cyclohexen-1-yl)-2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-ethylacetamide.

Molecular Properties

Compound NameN-(cyclohexen-1-yl)-2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-ethylacetamide
PubChem CID24652963
Molecular FormulaC17H22N4O2S2
Molecular Weight378.52 g/mol
Exact Mass378.12
IUPAC NameN-(cyclohexen-1-yl)-2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-ethylacetamide
SMILESCCN(C(=O)CSc1nnc(-c2sc(C)nc2C)o1)C1=CCCCC1
InChIInChI=1S/C17H22N4O2S2/c1-4-21(13-8-6-5-7-9-13)14(22)10-24-17-20-19-16(23-17)15-11(2)18-12(3)25-15/h8H,4-7,9-10H2,1-3H3
InChIKeyVFTOFFZEBYQDLH-UHFFFAOYSA-N
XLogP4.21
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexen-1-yl)-2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-ethylacetamide?
The IUPAC name of N-(cyclohexen-1-yl)-2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-ethylacetamide (CID 24652963) is N-(cyclohexen-1-yl)-2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-ethylacetamide.
What is the SMILES notation for N-(cyclohexen-1-yl)-2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-ethylacetamide?
The canonical SMILES for N-(cyclohexen-1-yl)-2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-ethylacetamide is CCN(C(=O)CSc1nnc(-c2sc(C)nc2C)o1)C1=CCCCC1.
What is the InChIKey of N-(cyclohexen-1-yl)-2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-ethylacetamide?
The InChIKey is VFTOFFZEBYQDLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2S2/c1-4-21(13-8-6-5-7-9-13)14(22)10-24-17-20-19-16(23-17)15-11(2)18-12(3)25-15/h8H,4-7,9-10H2,1-3H3.
What are the key properties of N-(cyclohexen-1-yl)-2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-ethylacetamide?
N-(cyclohexen-1-yl)-2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-ethylacetamide has a molecular weight of 378.52 g/mol, XLogP of 4.21, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexen-1-yl)-2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-ethylacetamide is sourced from PubChem (CID 24652963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).