N'-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-N-[(4-methylphenyl)methyl]butanediamide

C20H26N4O2S — CID 1400151

IUPACN'-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-N-[(4-methylphenyl)methyl]butanediamide
SMILESCc1ccc(CNC(=O)CCC(=O)Nc2nnc(C3CCCCC3)s2)cc1
InChIInChI=1S/C20H26N4O2S/c1-14-7-9-15(10-8-14)13-21-17(25)11-12-18(26)22-20-24-23-19(27-20)16-5-3-2-4-6-16/h7-10,16H,2-6,11-13H2,1H3,(H,21,25)(H,22,24,26)
InChIKeyLLZPXZFBKCKOIF-UHFFFAOYSA-N
MW386.52 g/mol
LogP3.93
Rot. Bonds7

About N'-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-N-[(4-methylphenyl)methyl]butanediamide

N'-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-N-[(4-methylphenyl)methyl]butanediamide (PubChem CID 1400151) has the molecular formula C20H26N4O2S and a molecular weight of 386.52 g/mol. Its IUPAC name is N'-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-N-[(4-methylphenyl)methyl]butanediamide.

Molecular Properties

Compound NameN'-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-N-[(4-methylphenyl)methyl]butanediamide
PubChem CID1400151
Molecular FormulaC20H26N4O2S
Molecular Weight386.52 g/mol
Exact Mass386.18
IUPAC NameN'-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-N-[(4-methylphenyl)methyl]butanediamide
SMILESCc1ccc(CNC(=O)CCC(=O)Nc2nnc(C3CCCCC3)s2)cc1
InChIInChI=1S/C20H26N4O2S/c1-14-7-9-15(10-8-14)13-21-17(25)11-12-18(26)22-20-24-23-19(27-20)16-5-3-2-4-6-16/h7-10,16H,2-6,11-13H2,1H3,(H,21,25)(H,22,24,26)
InChIKeyLLZPXZFBKCKOIF-UHFFFAOYSA-N
XLogP3.93
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N'-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-N-(4-methylphenyl)butanediamide
CID 1402158
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(4-methylphenyl)propanamide
CID 19229276
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)butanamide
CID 684814
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(4-methylphenyl)sulfonylacetamide
CID 3163430
N-(4-bromophenyl)-N'-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)butanediamide
CID 1400083
N'-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-N-(2-propan-2-ylphenyl)butanediamide
CID 1409643
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-pyridin-4-ylacetamide
CID 135234210
N-(3-bromophenyl)-N'-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)butanediamide
CID 1398596
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(4-ethylphenoxy)acetamide
CID 16572065
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 1180198
N-[5-[(1R,3R)-3-[5-[[2-(4-isocyanophenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-(4-methylphenyl)acetamide
CID 157247322
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-5-oxo-5-phenylpentanamide
CID 108807587

Frequently Asked Questions

What is the IUPAC name of N'-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-N-[(4-methylphenyl)methyl]butanediamide?
The IUPAC name of N'-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-N-[(4-methylphenyl)methyl]butanediamide (CID 1400151) is N'-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-N-[(4-methylphenyl)methyl]butanediamide.
What is the SMILES notation for N'-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-N-[(4-methylphenyl)methyl]butanediamide?
The canonical SMILES for N'-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-N-[(4-methylphenyl)methyl]butanediamide is Cc1ccc(CNC(=O)CCC(=O)Nc2nnc(C3CCCCC3)s2)cc1.
What is the InChIKey of N'-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-N-[(4-methylphenyl)methyl]butanediamide?
The InChIKey is LLZPXZFBKCKOIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2S/c1-14-7-9-15(10-8-14)13-21-17(25)11-12-18(26)22-20-24-23-19(27-20)16-5-3-2-4-6-16/h7-10,16H,2-6,11-13H2,1H3,(H,21,25)(H,22,24,26).
What are the key properties of N'-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-N-[(4-methylphenyl)methyl]butanediamide?
N'-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-N-[(4-methylphenyl)methyl]butanediamide has a molecular weight of 386.52 g/mol, XLogP of 3.93, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-N-[(4-methylphenyl)methyl]butanediamide is sourced from PubChem (CID 1400151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).