1-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-(4-hydroxy-2-methylbutyl)urea

C13H23N3O2S — CID 111508868

IUPAC1-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-(4-hydroxy-2-methylbutyl)urea
SMILESCCc1cnc(CCNC(=O)NCC(C)CCO)s1
InChIInChI=1S/C13H23N3O2S/c1-3-11-9-15-12(19-11)4-6-14-13(18)16-8-10(2)5-7-17/h9-10,17H,3-8H2,1-2H3,(H2,14,16,18)
InChIKeyJFNLLCVJVAFFKH-UHFFFAOYSA-N
MW285.41 g/mol
LogP1.57
Rot. Bonds8

About 1-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-(4-hydroxy-2-methylbutyl)urea

1-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-(4-hydroxy-2-methylbutyl)urea (PubChem CID 111508868) has the molecular formula C13H23N3O2S and a molecular weight of 285.41 g/mol. Its IUPAC name is 1-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-(4-hydroxy-2-methylbutyl)urea.

Molecular Properties

Compound Name1-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-(4-hydroxy-2-methylbutyl)urea
PubChem CID111508868
Molecular FormulaC13H23N3O2S
Molecular Weight285.41 g/mol
Exact Mass285.15
IUPAC Name1-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-(4-hydroxy-2-methylbutyl)urea
SMILESCCc1cnc(CCNC(=O)NCC(C)CCO)s1
InChIInChI=1S/C13H23N3O2S/c1-3-11-9-15-12(19-11)4-6-14-13(18)16-8-10(2)5-7-17/h9-10,17H,3-8H2,1-2H3,(H2,14,16,18)
InChIKeyJFNLLCVJVAFFKH-UHFFFAOYSA-N
XLogP1.57
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-(1-hydroxypropan-2-yl)urea
CID 71867691
4-[2-(5-ethyl-1,3-thiazol-2-yl)ethylcarbamoylamino]butanoic acid
CID 122004240
(2R)-2-amino-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride
CID 119896002
5-[2-(5-ethyl-1,3-thiazol-2-yl)ethylcarbamoyl]pyrazine-2-carboxylic acid
CID 120685817
N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-methylbutan-1-amine
CID 115887745
1-cyclopropyl-3-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-(2-hydroxyethyl)urea
CID 111508866
N-butan-2-yl-3-[[N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-N'-methylcarbamimidoyl]amino]propanamide;hydroiodide
CID 111531982
1-[(1R)-1-[(3R)-2,3-dihydro-1-benzofuran-3-yl]ethyl]-3-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]urea
CID 97242427
1-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-methyl-3-propan-2-ylguanidine;hydroiodide
CID 111510323
1-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-methyl-3-(5-methylhexan-2-yl)guanidine
CID 111512277
1-ethyl-3-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-(2-methylpropyl)guanidine
CID 111511673
N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119896018

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-(4-hydroxy-2-methylbutyl)urea?
The IUPAC name of 1-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-(4-hydroxy-2-methylbutyl)urea (CID 111508868) is 1-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-(4-hydroxy-2-methylbutyl)urea.
What is the SMILES notation for 1-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-(4-hydroxy-2-methylbutyl)urea?
The canonical SMILES for 1-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-(4-hydroxy-2-methylbutyl)urea is CCc1cnc(CCNC(=O)NCC(C)CCO)s1.
What is the InChIKey of 1-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-(4-hydroxy-2-methylbutyl)urea?
The InChIKey is JFNLLCVJVAFFKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S/c1-3-11-9-15-12(19-11)4-6-14-13(18)16-8-10(2)5-7-17/h9-10,17H,3-8H2,1-2H3,(H2,14,16,18).
What are the key properties of 1-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-(4-hydroxy-2-methylbutyl)urea?
1-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-(4-hydroxy-2-methylbutyl)urea has a molecular weight of 285.41 g/mol, XLogP of 1.57, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-(4-hydroxy-2-methylbutyl)urea is sourced from PubChem (CID 111508868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).