N-[2-(4-aminophenyl)-1-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)ethyl]acetamide;ethane

C20H30N4OS — CID 142574877

IUPACN-[2-(4-aminophenyl)-1-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)ethyl]acetamide;ethane
SMILESCC.CC(=O)NC(Cc1ccc(N)cc1)c1nnc(C2CCCCC2)s1
InChIInChI=1S/C18H24N4OS.C2H6/c1-12(23)20-16(11-13-7-9-15(19)10-8-13)18-22-21-17(24-18)14-5-3-2-4-6-14;1-2/h7-10,14,16H,2-6,11,19H2,1H3,(H,20,23);1-2H3
InChIKeyJDGIDLZMAFPENZ-UHFFFAOYSA-N
MW374.55 g/mol
LogP4.61
Rot. Bonds5

About N-[2-(4-aminophenyl)-1-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)ethyl]acetamide;ethane

N-[2-(4-aminophenyl)-1-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)ethyl]acetamide;ethane (PubChem CID 142574877) has the molecular formula C20H30N4OS and a molecular weight of 374.55 g/mol. Its IUPAC name is N-[2-(4-aminophenyl)-1-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)ethyl]acetamide;ethane.

Molecular Properties

Compound NameN-[2-(4-aminophenyl)-1-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)ethyl]acetamide;ethane
PubChem CID142574877
Molecular FormulaC20H30N4OS
Molecular Weight374.55 g/mol
Exact Mass374.21
IUPAC NameN-[2-(4-aminophenyl)-1-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)ethyl]acetamide;ethane
SMILESCC.CC(=O)NC(Cc1ccc(N)cc1)c1nnc(C2CCCCC2)s1
InChIInChI=1S/C18H24N4OS.C2H6/c1-12(23)20-16(11-13-7-9-15(19)10-8-13)18-22-21-17(24-18)14-5-3-2-4-6-14;1-2/h7-10,14,16H,2-6,11,19H2,1H3,(H,20,23);1-2H3
InChIKeyJDGIDLZMAFPENZ-UHFFFAOYSA-N
XLogP4.61
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.55
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminophenyl)-1-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)ethyl]acetamide;ethane?
The IUPAC name of N-[2-(4-aminophenyl)-1-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)ethyl]acetamide;ethane (CID 142574877) is N-[2-(4-aminophenyl)-1-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)ethyl]acetamide;ethane.
What is the SMILES notation for N-[2-(4-aminophenyl)-1-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)ethyl]acetamide;ethane?
The canonical SMILES for N-[2-(4-aminophenyl)-1-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)ethyl]acetamide;ethane is CC.CC(=O)NC(Cc1ccc(N)cc1)c1nnc(C2CCCCC2)s1.
What is the InChIKey of N-[2-(4-aminophenyl)-1-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)ethyl]acetamide;ethane?
The InChIKey is JDGIDLZMAFPENZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4OS.C2H6/c1-12(23)20-16(11-13-7-9-15(19)10-8-13)18-22-21-17(24-18)14-5-3-2-4-6-14;1-2/h7-10,14,16H,2-6,11,19H2,1H3,(H,20,23);1-2H3.
What are the key properties of N-[2-(4-aminophenyl)-1-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)ethyl]acetamide;ethane?
N-[2-(4-aminophenyl)-1-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)ethyl]acetamide;ethane has a molecular weight of 374.55 g/mol, XLogP of 4.61, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminophenyl)-1-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)ethyl]acetamide;ethane is sourced from PubChem (CID 142574877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).