4-[4-(2-amino-2-oxoethyl)cyclohexyl]-N-(5-benzyl-1,3,4-thiadiazol-2-yl)benzamide

C24H26N4O2S — CID 66739879

IUPAC4-[4-(2-amino-2-oxoethyl)cyclohexyl]-N-(5-benzyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESNC(=O)CC1CCC(c2ccc(C(=O)Nc3nnc(Cc4ccccc4)s3)cc2)CC1
InChIInChI=1S/C24H26N4O2S/c25-21(29)14-17-6-8-18(9-7-17)19-10-12-20(13-11-19)23(30)26-24-28-27-22(31-24)15-16-4-2-1-3-5-16/h1-5,10-13,17-18H,6-9,14-15H2,(H2,25,29)(H,26,28,30)
InChIKeyKLFUSHMDJIKQHK-UHFFFAOYSA-N
MW434.57 g/mol
LogP4.53
Rot. Bonds7

About 4-[4-(2-amino-2-oxoethyl)cyclohexyl]-N-(5-benzyl-1,3,4-thiadiazol-2-yl)benzamide

4-[4-(2-amino-2-oxoethyl)cyclohexyl]-N-(5-benzyl-1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 66739879) has the molecular formula C24H26N4O2S and a molecular weight of 434.57 g/mol. Its IUPAC name is 4-[4-(2-amino-2-oxoethyl)cyclohexyl]-N-(5-benzyl-1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-[4-(2-amino-2-oxoethyl)cyclohexyl]-N-(5-benzyl-1,3,4-thiadiazol-2-yl)benzamide
PubChem CID66739879
Molecular FormulaC24H26N4O2S
Molecular Weight434.57 g/mol
Exact Mass434.18
IUPAC Name4-[4-(2-amino-2-oxoethyl)cyclohexyl]-N-(5-benzyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESNC(=O)CC1CCC(c2ccc(C(=O)Nc3nnc(Cc4ccccc4)s3)cc2)CC1
InChIInChI=1S/C24H26N4O2S/c25-21(29)14-17-6-8-18(9-7-17)19-10-12-20(13-11-19)23(30)26-24-28-27-22(31-24)15-16-4-2-1-3-5-16/h1-5,10-13,17-18H,6-9,14-15H2,(H2,25,29)(H,26,28,30)
InChIKeyKLFUSHMDJIKQHK-UHFFFAOYSA-N
XLogP4.53
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.57
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[4-(2-amino-2-oxoethyl)cyclohexyl]-N-(5-benzyl-1,3,4-thiadiazol-2-yl)benzamide with MolForge

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Related Compounds

N-(5-phenethyl-1,3,4-thiadiazol-2-yl)benzamide
CID 821478
4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 676913
4-iodo-N-(5-phenethyl-1,3,4-thiadiazol-2-yl)benzamide
CID 44412060
2-Phenyl-~{n}-[5-[(1~{s},3~{s})-3-[5-(2-Phenylethanoylamino)-1,3,4-Thiadiazol-2-Yl]cyclohexyl]-1,3,4-Thiadiazol-2-Yl]ethanamide
CID 74223468
N-(5-benzyl-1,3,4-thiadiazol-2-yl)benzamide
CID 816787
3-fluoro-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 3669135
2-iodo-N-(5-phenethyl-1,3,4-thiadiazol-2-yl)benzamide
CID 1097674
N-(5-Benzyl-[1,3,4]thiadiazol-2-yl)-3-methyl-benzamide
CID 832881
2-fluoro-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 878365
N-(5-methyl-1,3,4-thiadiazol-2-yl)naphthalene-2-carboxamide
CID 2971416
2-fluoro-N-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 3733180
N-[5-(2-piperidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 16188869

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-amino-2-oxoethyl)cyclohexyl]-N-(5-benzyl-1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 4-[4-(2-amino-2-oxoethyl)cyclohexyl]-N-(5-benzyl-1,3,4-thiadiazol-2-yl)benzamide (CID 66739879) is 4-[4-(2-amino-2-oxoethyl)cyclohexyl]-N-(5-benzyl-1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 4-[4-(2-amino-2-oxoethyl)cyclohexyl]-N-(5-benzyl-1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 4-[4-(2-amino-2-oxoethyl)cyclohexyl]-N-(5-benzyl-1,3,4-thiadiazol-2-yl)benzamide is NC(=O)CC1CCC(c2ccc(C(=O)Nc3nnc(Cc4ccccc4)s3)cc2)CC1.
What is the InChIKey of 4-[4-(2-amino-2-oxoethyl)cyclohexyl]-N-(5-benzyl-1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is KLFUSHMDJIKQHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2S/c25-21(29)14-17-6-8-18(9-7-17)19-10-12-20(13-11-19)23(30)26-24-28-27-22(31-24)15-16-4-2-1-3-5-16/h1-5,10-13,17-18H,6-9,14-15H2,(H2,25,29)(H,26,28,30).
What are the key properties of 4-[4-(2-amino-2-oxoethyl)cyclohexyl]-N-(5-benzyl-1,3,4-thiadiazol-2-yl)benzamide?
4-[4-(2-amino-2-oxoethyl)cyclohexyl]-N-(5-benzyl-1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 434.57 g/mol, XLogP of 4.53, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-amino-2-oxoethyl)cyclohexyl]-N-(5-benzyl-1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 66739879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).