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

C10H18N4O2S — CID 110890653

IUPAC3-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(2-hydroxyethyl)-1-propylurea
SMILESCCCN(CCO)C(=O)Nc1nnc(CC)s1
InChIInChI=1S/C10H18N4O2S/c1-3-5-14(6-7-15)10(16)11-9-13-12-8(4-2)17-9/h15H,3-7H2,1-2H3,(H,11,13,16)
InChIKeyOWILXZPVBZEZSE-UHFFFAOYSA-N
MW258.35 g/mol
LogP1.34
Rot. Bonds6

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

3-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(2-hydroxyethyl)-1-propylurea (PubChem CID 110890653) has the molecular formula C10H18N4O2S and a molecular weight of 258.35 g/mol. Its IUPAC name is 3-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(2-hydroxyethyl)-1-propylurea.

Molecular Properties

Compound Name3-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(2-hydroxyethyl)-1-propylurea
PubChem CID110890653
Molecular FormulaC10H18N4O2S
Molecular Weight258.35 g/mol
Exact Mass258.12
IUPAC Name3-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(2-hydroxyethyl)-1-propylurea
SMILESCCCN(CCO)C(=O)Nc1nnc(CC)s1
InChIInChI=1S/C10H18N4O2S/c1-3-5-14(6-7-15)10(16)11-9-13-12-8(4-2)17-9/h15H,3-7H2,1-2H3,(H,11,13,16)
InChIKeyOWILXZPVBZEZSE-UHFFFAOYSA-N
XLogP1.34
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl-propylamino]acetic acid
CID 107642456
3-(5-butyl-1,3,4-thiadiazol-2-yl)-1-ethyl-1-(2-hydroxyethyl)urea
CID 110890745
3-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-1-(2-hydroxyethyl)-1-propylurea
CID 111109536
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,2-dimethylpropanamide
CID 692810
2-(dimethylamino)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)pentanamide
CID 19256783
2-[cyclopentyl-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]amino]acetic acid
CID 107642597
6-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 4531585
4-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl-methylamino]oxolane-3-carboxylic acid
CID 107642467
1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(4-hydroxy-2-methylbutyl)urea
CID 111473151
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(methylamino)propanamide
CID 107641879
4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 107641479
5-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]oxolane-2-carboxylic acid
CID 107641478

Frequently Asked Questions

What is the IUPAC name of 3-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(2-hydroxyethyl)-1-propylurea?
The IUPAC name of 3-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(2-hydroxyethyl)-1-propylurea (CID 110890653) is 3-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(2-hydroxyethyl)-1-propylurea.
What is the SMILES notation for 3-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(2-hydroxyethyl)-1-propylurea?
The canonical SMILES for 3-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(2-hydroxyethyl)-1-propylurea is CCCN(CCO)C(=O)Nc1nnc(CC)s1.
What is the InChIKey of 3-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(2-hydroxyethyl)-1-propylurea?
The InChIKey is OWILXZPVBZEZSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2S/c1-3-5-14(6-7-15)10(16)11-9-13-12-8(4-2)17-9/h15H,3-7H2,1-2H3,(H,11,13,16).
What are the key properties of 3-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(2-hydroxyethyl)-1-propylurea?
3-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(2-hydroxyethyl)-1-propylurea has a molecular weight of 258.35 g/mol, XLogP of 1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(2-hydroxyethyl)-1-propylurea is sourced from PubChem (CID 110890653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).