3-(5-butyl-1,3,4-thiadiazol-2-yl)-1-ethyl-1-(2-hydroxyethyl)urea

C11H20N4O2S — CID 110890745

IUPAC3-(5-butyl-1,3,4-thiadiazol-2-yl)-1-ethyl-1-(2-hydroxyethyl)urea
SMILESCCCCc1nnc(NC(=O)N(CC)CCO)s1
InChIInChI=1S/C11H20N4O2S/c1-3-5-6-9-13-14-10(18-9)12-11(17)15(4-2)7-8-16/h16H,3-8H2,1-2H3,(H,12,14,17)
InChIKeyMWSCNPBYJUUMNZ-UHFFFAOYSA-N
MW272.37 g/mol
LogP1.73
Rot. Bonds7

About 3-(5-butyl-1,3,4-thiadiazol-2-yl)-1-ethyl-1-(2-hydroxyethyl)urea

3-(5-butyl-1,3,4-thiadiazol-2-yl)-1-ethyl-1-(2-hydroxyethyl)urea (PubChem CID 110890745) has the molecular formula C11H20N4O2S and a molecular weight of 272.37 g/mol. Its IUPAC name is 3-(5-butyl-1,3,4-thiadiazol-2-yl)-1-ethyl-1-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name3-(5-butyl-1,3,4-thiadiazol-2-yl)-1-ethyl-1-(2-hydroxyethyl)urea
PubChem CID110890745
Molecular FormulaC11H20N4O2S
Molecular Weight272.37 g/mol
Exact Mass272.13
IUPAC Name3-(5-butyl-1,3,4-thiadiazol-2-yl)-1-ethyl-1-(2-hydroxyethyl)urea
SMILESCCCCc1nnc(NC(=O)N(CC)CCO)s1
InChIInChI=1S/C11H20N4O2S/c1-3-5-6-9-13-14-10(18-9)12-11(17)15(4-2)7-8-16/h16H,3-8H2,1-2H3,(H,12,14,17)
InChIKeyMWSCNPBYJUUMNZ-UHFFFAOYSA-N
XLogP1.73
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(2-hydroxyethyl)-1-propylurea
CID 110890653
N-(5-pentadecyl-1,3,4-thiadiazol-2-yl)acetamide
CID 5080643
3-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-1-(2-hydroxyethyl)-1-propylurea
CID 111109536
N-(5-pentyl-1,3,4-thiadiazol-2-yl)butanamide
CID 4629599
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-methylbutanamide
CID 132962669
ethyl N-(5-butyl-1,3,4-thiadiazol-2-yl)carbamate
CID 121088928
N-(5-pentyl-1,3,4-thiadiazol-2-yl)pentanamide
CID 2197904
N-(5-butyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide
CID 19181493
(E)-N'-(5-butyl-1,3,4-thiadiazol-2-yl)but-2-enediamide
CID 6435707
2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl-propylamino]acetic acid
CID 107642456
pentyl N-(5-pentyl-1,3,4-thiadiazol-2-yl)carbamate
CID 2207802
1-(4-hydroxy-2-methylbutyl)-3-(5-pentyl-1,3,4-thiadiazol-2-yl)urea
CID 111473294

Frequently Asked Questions

What is the IUPAC name of 3-(5-butyl-1,3,4-thiadiazol-2-yl)-1-ethyl-1-(2-hydroxyethyl)urea?
The IUPAC name of 3-(5-butyl-1,3,4-thiadiazol-2-yl)-1-ethyl-1-(2-hydroxyethyl)urea (CID 110890745) is 3-(5-butyl-1,3,4-thiadiazol-2-yl)-1-ethyl-1-(2-hydroxyethyl)urea.
What is the SMILES notation for 3-(5-butyl-1,3,4-thiadiazol-2-yl)-1-ethyl-1-(2-hydroxyethyl)urea?
The canonical SMILES for 3-(5-butyl-1,3,4-thiadiazol-2-yl)-1-ethyl-1-(2-hydroxyethyl)urea is CCCCc1nnc(NC(=O)N(CC)CCO)s1.
What is the InChIKey of 3-(5-butyl-1,3,4-thiadiazol-2-yl)-1-ethyl-1-(2-hydroxyethyl)urea?
The InChIKey is MWSCNPBYJUUMNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2S/c1-3-5-6-9-13-14-10(18-9)12-11(17)15(4-2)7-8-16/h16H,3-8H2,1-2H3,(H,12,14,17).
What are the key properties of 3-(5-butyl-1,3,4-thiadiazol-2-yl)-1-ethyl-1-(2-hydroxyethyl)urea?
3-(5-butyl-1,3,4-thiadiazol-2-yl)-1-ethyl-1-(2-hydroxyethyl)urea has a molecular weight of 272.37 g/mol, XLogP of 1.73, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-butyl-1,3,4-thiadiazol-2-yl)-1-ethyl-1-(2-hydroxyethyl)urea is sourced from PubChem (CID 110890745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).