N'-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-N-(4-methoxyphenyl)butanediamide

C19H24N4O3S — CID 1402367

IUPACN'-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-N-(4-methoxyphenyl)butanediamide
SMILESCOc1ccc(NC(=O)CCC(=O)Nc2nnc(C3CCCCC3)s2)cc1
InChIInChI=1S/C19H24N4O3S/c1-26-15-9-7-14(8-10-15)20-16(24)11-12-17(25)21-19-23-22-18(27-19)13-5-3-2-4-6-13/h7-10,13H,2-6,11-12H2,1H3,(H,20,24)(H,21,23,25)
InChIKeyNSRDIPJGHOEWPN-UHFFFAOYSA-N
MW388.49 g/mol
LogP3.95
Rot. Bonds7

About N'-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-N-(4-methoxyphenyl)butanediamide

N'-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-N-(4-methoxyphenyl)butanediamide (PubChem CID 1402367) has the molecular formula C19H24N4O3S and a molecular weight of 388.49 g/mol. Its IUPAC name is N'-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-N-(4-methoxyphenyl)butanediamide.

Molecular Properties

Compound NameN'-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-N-(4-methoxyphenyl)butanediamide
PubChem CID1402367
Molecular FormulaC19H24N4O3S
Molecular Weight388.49 g/mol
Exact Mass388.16
IUPAC NameN'-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-N-(4-methoxyphenyl)butanediamide
SMILESCOc1ccc(NC(=O)CCC(=O)Nc2nnc(C3CCCCC3)s2)cc1
InChIInChI=1S/C19H24N4O3S/c1-26-15-9-7-14(8-10-15)20-16(24)11-12-17(25)21-19-23-22-18(27-19)13-5-3-2-4-6-13/h7-10,13H,2-6,11-12H2,1H3,(H,20,24)(H,21,23,25)
InChIKeyNSRDIPJGHOEWPN-UHFFFAOYSA-N
XLogP3.95
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-[(4-Fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-(4-methoxyphenyl)urea
CID 1362085
1-(4-Fluorophenyl)-3-[5-(4-methoxybenzyl)-1,3,4-thiadiazol-2-yl]urea
CID 1389244
1-(4-Ethoxy-phenyl)-5-oxo-pyrrolidine-3-carboxylic acid (5-ethyl-[1,3,4]thiadiazol-2-yl)-amide
CID 6494528
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-N'-(4-methoxyphenyl)urea
CID 3238317
1-(4-Methoxyphenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea
CID 4622855
N-(4-methoxyphenyl)-N'-(5-propyl-1,3,4-thiadiazol-2-yl)urea
CID 4622858
1-(2-Methoxyphenyl)-3-[5-(1-phenylethyl)-1,3,4-thiadiazol-2-yl]urea
CID 2895799
Mls000758482
CID 331795
1-(4-Methoxyphenyl)-3-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]urea
CID 659530
1-(2-methoxyphenyl)-3-[(2Z)-5-(propan-2-yl)-1,3,4-thiadiazol-2(3H)-ylidene]urea
CID 660721
1-(4-Ethoxyphenyl)-3-(5-ethyl-1,3,4-thiadiazol-2-yl)urea
CID 881180
1-[5-(4-Methoxybenzyl)-1,3,4-thiadiazol-2-yl]-3-(3-methoxyphenyl)urea
CID 1075777

Frequently Asked Questions

What is the IUPAC name of N'-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-N-(4-methoxyphenyl)butanediamide?
The IUPAC name of N'-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-N-(4-methoxyphenyl)butanediamide (CID 1402367) is N'-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-N-(4-methoxyphenyl)butanediamide.
What is the SMILES notation for N'-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-N-(4-methoxyphenyl)butanediamide?
The canonical SMILES for N'-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-N-(4-methoxyphenyl)butanediamide is COc1ccc(NC(=O)CCC(=O)Nc2nnc(C3CCCCC3)s2)cc1.
What is the InChIKey of N'-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-N-(4-methoxyphenyl)butanediamide?
The InChIKey is NSRDIPJGHOEWPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3S/c1-26-15-9-7-14(8-10-15)20-16(24)11-12-17(25)21-19-23-22-18(27-19)13-5-3-2-4-6-13/h7-10,13H,2-6,11-12H2,1H3,(H,20,24)(H,21,23,25).
What are the key properties of N'-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-N-(4-methoxyphenyl)butanediamide?
N'-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-N-(4-methoxyphenyl)butanediamide has a molecular weight of 388.49 g/mol, XLogP of 3.95, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-N-(4-methoxyphenyl)butanediamide is sourced from PubChem (CID 1402367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).