1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(2-hydroxy-2,3-dimethylbutyl)urea

C11H20N4O2S — CID 111120456

IUPAC1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(2-hydroxy-2,3-dimethylbutyl)urea
SMILESCCc1nnc(NC(=O)NCC(C)(O)C(C)C)s1
InChIInChI=1S/C11H20N4O2S/c1-5-8-14-15-10(18-8)13-9(16)12-6-11(4,17)7(2)3/h7,17H,5-6H2,1-4H3,(H2,12,13,15,16)
InChIKeyOVETVROWOAJJTC-UHFFFAOYSA-N
MW272.37 g/mol
LogP1.63
Rot. Bonds5

About 1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(2-hydroxy-2,3-dimethylbutyl)urea

1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(2-hydroxy-2,3-dimethylbutyl)urea (PubChem CID 111120456) has the molecular formula C11H20N4O2S and a molecular weight of 272.37 g/mol. Its IUPAC name is 1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(2-hydroxy-2,3-dimethylbutyl)urea.

Molecular Properties

Compound Name1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(2-hydroxy-2,3-dimethylbutyl)urea
PubChem CID111120456
Molecular FormulaC11H20N4O2S
Molecular Weight272.37 g/mol
Exact Mass272.13
IUPAC Name1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(2-hydroxy-2,3-dimethylbutyl)urea
SMILESCCc1nnc(NC(=O)NCC(C)(O)C(C)C)s1
InChIInChI=1S/C11H20N4O2S/c1-5-8-14-15-10(18-8)13-9(16)12-6-11(4,17)7(2)3/h7,17H,5-6H2,1-4H3,(H2,12,13,15,16)
InChIKeyOVETVROWOAJJTC-UHFFFAOYSA-N
XLogP1.63
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-3-(2-hydroxy-2,3-dimethylbutyl)urea
CID 111120642
1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-(2-hydroxy-2,3-dimethylpentyl)urea
CID 111120613
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)-2,2-dimethylpropanamide
CID 692810
2-[[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoylamino]acetyl]amino]acetic acid
CID 107642562
1-(2,2-diethyl-4-hydroxybutyl)-3-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]urea
CID 111521045
2-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3,3-dimethylbutanamide
CID 103827482
2-methylpropyl N-(5-ethyl-1,3,4-thiadiazol-2-yl)carbamate
CID 18877667
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,2,3,3-tetrafluoropropanamide
CID 103733154
2-cyano-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide
CID 103668444
1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[2-(trifluoromethyl)phenyl]urea
CID 6621602
3-[[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-3-methyl-4-oxobutan-2-yl]carbamoylamino]propanoic acid
CID 122014211

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(2-hydroxy-2,3-dimethylbutyl)urea?
The IUPAC name of 1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(2-hydroxy-2,3-dimethylbutyl)urea (CID 111120456) is 1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(2-hydroxy-2,3-dimethylbutyl)urea.
What is the SMILES notation for 1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(2-hydroxy-2,3-dimethylbutyl)urea?
The canonical SMILES for 1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(2-hydroxy-2,3-dimethylbutyl)urea is CCc1nnc(NC(=O)NCC(C)(O)C(C)C)s1.
What is the InChIKey of 1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(2-hydroxy-2,3-dimethylbutyl)urea?
The InChIKey is OVETVROWOAJJTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2S/c1-5-8-14-15-10(18-8)13-9(16)12-6-11(4,17)7(2)3/h7,17H,5-6H2,1-4H3,(H2,12,13,15,16).
What are the key properties of 1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(2-hydroxy-2,3-dimethylbutyl)urea?
1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(2-hydroxy-2,3-dimethylbutyl)urea has a molecular weight of 272.37 g/mol, XLogP of 1.63, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(2-hydroxy-2,3-dimethylbutyl)urea is sourced from PubChem (CID 111120456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).