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

C10H18N4O2S — CID 110908064

IUPAC1-(2-hydroxyethyl)-3-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)urea
SMILESCCC(CC)c1nnc(NC(=O)NCCO)s1
InChIInChI=1S/C10H18N4O2S/c1-3-7(4-2)8-13-14-10(17-8)12-9(16)11-5-6-15/h7,15H,3-6H2,1-2H3,(H2,11,12,14,16)
InChIKeyZSJAQIVVWOJIRR-UHFFFAOYSA-N
MW258.35 g/mol
LogP1.56
Rot. Bonds6

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

1-(2-hydroxyethyl)-3-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)urea (PubChem CID 110908064) has the molecular formula C10H18N4O2S and a molecular weight of 258.35 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-3-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)urea.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-3-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)urea
PubChem CID110908064
Molecular FormulaC10H18N4O2S
Molecular Weight258.35 g/mol
Exact Mass258.12
IUPAC Name1-(2-hydroxyethyl)-3-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)urea
SMILESCCC(CC)c1nnc(NC(=O)NCCO)s1
InChIInChI=1S/C10H18N4O2S/c1-3-7(4-2)8-13-14-10(17-8)12-9(16)11-5-6-15/h7,15H,3-6H2,1-2H3,(H2,11,12,14,16)
InChIKeyZSJAQIVVWOJIRR-UHFFFAOYSA-N
XLogP1.56
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-hydroxy-2,2-dimethylbutyl)-3-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)urea
CID 111473444
N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 1086879
2,2,2-trifluoro-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 19194854
N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-N'-propan-2-yloxamide
CID 47332757
(2S)-2-amino-4-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)pentanamide
CID 119679541
1-(1-hydroxy-2-methylpentan-2-yl)-3-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)urea
CID 111925915
(2S)-2-amino-3-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)butanamide
CID 119266054
2-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)pentanamide
CID 4161855
N-[3-oxo-3-[(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)amino]propyl]benzamide
CID 17154580
1-(2-hydroxycyclohexyl)-3-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)urea
CID 110932992
4-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 2675853
4-bromo-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 2675832

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-3-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)urea?
The IUPAC name of 1-(2-hydroxyethyl)-3-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)urea (CID 110908064) is 1-(2-hydroxyethyl)-3-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)urea.
What is the SMILES notation for 1-(2-hydroxyethyl)-3-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)urea?
The canonical SMILES for 1-(2-hydroxyethyl)-3-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)urea is CCC(CC)c1nnc(NC(=O)NCCO)s1.
What is the InChIKey of 1-(2-hydroxyethyl)-3-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)urea?
The InChIKey is ZSJAQIVVWOJIRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2S/c1-3-7(4-2)8-13-14-10(17-8)12-9(16)11-5-6-15/h7,15H,3-6H2,1-2H3,(H2,11,12,14,16).
What are the key properties of 1-(2-hydroxyethyl)-3-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)urea?
1-(2-hydroxyethyl)-3-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)urea has a molecular weight of 258.35 g/mol, XLogP of 1.56, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-3-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)urea is sourced from PubChem (CID 110908064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).