1-(4-ethyl-1,3-thiazol-2-yl)-3-(1-hydroxy-2-methylbutan-2-yl)urea

C11H19N3O2S — CID 111926682

IUPAC1-(4-ethyl-1,3-thiazol-2-yl)-3-(1-hydroxy-2-methylbutan-2-yl)urea
SMILESCCc1csc(NC(=O)NC(C)(CC)CO)n1
InChIInChI=1S/C11H19N3O2S/c1-4-8-6-17-10(12-8)13-9(16)14-11(3,5-2)7-15/h6,15H,4-5,7H2,1-3H3,(H2,12,13,14,16)
InChIKeyDXADYKLJXJIZSF-UHFFFAOYSA-N
MW257.36 g/mol
LogP1.99
Rot. Bonds5

About 1-(4-ethyl-1,3-thiazol-2-yl)-3-(1-hydroxy-2-methylbutan-2-yl)urea

1-(4-ethyl-1,3-thiazol-2-yl)-3-(1-hydroxy-2-methylbutan-2-yl)urea (PubChem CID 111926682) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is 1-(4-ethyl-1,3-thiazol-2-yl)-3-(1-hydroxy-2-methylbutan-2-yl)urea.

Molecular Properties

Compound Name1-(4-ethyl-1,3-thiazol-2-yl)-3-(1-hydroxy-2-methylbutan-2-yl)urea
PubChem CID111926682
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC Name1-(4-ethyl-1,3-thiazol-2-yl)-3-(1-hydroxy-2-methylbutan-2-yl)urea
SMILESCCc1csc(NC(=O)NC(C)(CC)CO)n1
InChIInChI=1S/C11H19N3O2S/c1-4-8-6-17-10(12-8)13-9(16)14-11(3,5-2)7-15/h6,15H,4-5,7H2,1-3H3,(H2,12,13,14,16)
InChIKeyDXADYKLJXJIZSF-UHFFFAOYSA-N
XLogP1.99
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-ethyl-1,3-thiazol-2-yl)butanamide
CID 87065374
N-(1-chloro-2-methylbutan-2-yl)-4-ethyl-1,3-thiazol-2-amine
CID 65028401
1-tert-butyl-3-(4-methyl-1,3-thiazol-2-yl)urea;ethane
CID 143608747
N-[4-(chloromethyl)-1,3-thiazol-2-yl]-2,2-dimethylbutanamide
CID 62679182
1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(1-hydroxy-2-methylbutan-2-yl)urea
CID 111519633
2-[(4-ethyl-1,3-thiazol-2-yl)amino]acetic acid
CID 62960794
[4-(hydroxymethyl)-1,3-thiazol-2-yl]carbamic acid
CID 87112196
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(1-hydroxy-2-methylbutan-2-yl)urea
CID 111926281
1-tert-butyl-3-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]urea
CID 64556505
1-(1-hydroxy-2-methylbutan-2-yl)-3-[2-[(2-methylpropan-2-yl)oxy]phenyl]urea
CID 111926481
1-(2-cyclopropylpyrimidin-5-yl)-3-(1-hydroxy-2-methylbutan-2-yl)urea
CID 111926319
methyl 3-[2-(3-methylpentan-3-ylamino)-1,3-thiazol-4-yl]propanoate
CID 106331944

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethyl-1,3-thiazol-2-yl)-3-(1-hydroxy-2-methylbutan-2-yl)urea?
The IUPAC name of 1-(4-ethyl-1,3-thiazol-2-yl)-3-(1-hydroxy-2-methylbutan-2-yl)urea (CID 111926682) is 1-(4-ethyl-1,3-thiazol-2-yl)-3-(1-hydroxy-2-methylbutan-2-yl)urea.
What is the SMILES notation for 1-(4-ethyl-1,3-thiazol-2-yl)-3-(1-hydroxy-2-methylbutan-2-yl)urea?
The canonical SMILES for 1-(4-ethyl-1,3-thiazol-2-yl)-3-(1-hydroxy-2-methylbutan-2-yl)urea is CCc1csc(NC(=O)NC(C)(CC)CO)n1.
What is the InChIKey of 1-(4-ethyl-1,3-thiazol-2-yl)-3-(1-hydroxy-2-methylbutan-2-yl)urea?
The InChIKey is DXADYKLJXJIZSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-4-8-6-17-10(12-8)13-9(16)14-11(3,5-2)7-15/h6,15H,4-5,7H2,1-3H3,(H2,12,13,14,16).
What are the key properties of 1-(4-ethyl-1,3-thiazol-2-yl)-3-(1-hydroxy-2-methylbutan-2-yl)urea?
1-(4-ethyl-1,3-thiazol-2-yl)-3-(1-hydroxy-2-methylbutan-2-yl)urea has a molecular weight of 257.36 g/mol, XLogP of 1.99, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethyl-1,3-thiazol-2-yl)-3-(1-hydroxy-2-methylbutan-2-yl)urea is sourced from PubChem (CID 111926682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).