1-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-(1-hydroxypropan-2-yl)urea

C11H19N3O2S — CID 71867691

IUPAC1-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-(1-hydroxypropan-2-yl)urea
SMILESCCc1cnc(CCNC(=O)NC(C)CO)s1
InChIInChI=1S/C11H19N3O2S/c1-3-9-6-13-10(17-9)4-5-12-11(16)14-8(2)7-15/h6,8,15H,3-5,7H2,1-2H3,(H2,12,14,16)
InChIKeyUOQQRJYDIROEQN-UHFFFAOYSA-N
MW257.36 g/mol
LogP0.93
Rot. Bonds6

About 1-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-(1-hydroxypropan-2-yl)urea

1-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-(1-hydroxypropan-2-yl)urea (PubChem CID 71867691) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is 1-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-(1-hydroxypropan-2-yl)urea.

Molecular Properties

Compound Name1-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-(1-hydroxypropan-2-yl)urea
PubChem CID71867691
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC Name1-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-(1-hydroxypropan-2-yl)urea
SMILESCCc1cnc(CCNC(=O)NC(C)CO)s1
InChIInChI=1S/C11H19N3O2S/c1-3-9-6-13-10(17-9)4-5-12-11(16)14-8(2)7-15/h6,8,15H,3-5,7H2,1-2H3,(H2,12,14,16)
InChIKeyUOQQRJYDIROEQN-UHFFFAOYSA-N
XLogP0.93
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 50.93
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-(4-hydroxy-2-methylbutyl)urea
CID 111508868
(2R)-2-amino-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride
CID 119896002
4-[2-(5-ethyl-1,3-thiazol-2-yl)ethylcarbamoylamino]butanoic acid
CID 122004240
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
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]-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119896018
4-cyano-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 71994048
1-cyclopropyl-3-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-(2-hydroxyethyl)urea
CID 111508866
N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-methylpyrrole-2-carboxamide
CID 71994022

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-(1-hydroxypropan-2-yl)urea?
The IUPAC name of 1-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-(1-hydroxypropan-2-yl)urea (CID 71867691) is 1-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-(1-hydroxypropan-2-yl)urea.
What is the SMILES notation for 1-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-(1-hydroxypropan-2-yl)urea?
The canonical SMILES for 1-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-(1-hydroxypropan-2-yl)urea is CCc1cnc(CCNC(=O)NC(C)CO)s1.
What is the InChIKey of 1-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-(1-hydroxypropan-2-yl)urea?
The InChIKey is UOQQRJYDIROEQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-3-9-6-13-10(17-9)4-5-12-11(16)14-8(2)7-15/h6,8,15H,3-5,7H2,1-2H3,(H2,12,14,16).
What are the key properties of 1-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-(1-hydroxypropan-2-yl)urea?
1-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-(1-hydroxypropan-2-yl)urea has a molecular weight of 257.36 g/mol, XLogP of 0.93, 6 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-(1-hydroxypropan-2-yl)urea is sourced from PubChem (CID 71867691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).