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

C17H23N3O2S — CID 110922351

IUPAC1-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-3-(2-hydroxy-1-phenylethyl)urea
SMILESCCc1nc(CCNC(=O)NC(CO)c2ccccc2)sc1C
InChIInChI=1S/C17H23N3O2S/c1-3-14-12(2)23-16(19-14)9-10-18-17(22)20-15(11-21)13-7-5-4-6-8-13/h4-8,15,21H,3,9-11H2,1-2H3,(H2,18,20,22)
InChIKeyLVFMRZWQOBRMMO-UHFFFAOYSA-N
MW333.46 g/mol
LogP2.59
Rot. Bonds7

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

1-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-3-(2-hydroxy-1-phenylethyl)urea (PubChem CID 110922351) has the molecular formula C17H23N3O2S and a molecular weight of 333.46 g/mol. Its IUPAC name is 1-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-3-(2-hydroxy-1-phenylethyl)urea.

Molecular Properties

Compound Name1-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-3-(2-hydroxy-1-phenylethyl)urea
PubChem CID110922351
Molecular FormulaC17H23N3O2S
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC Name1-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-3-(2-hydroxy-1-phenylethyl)urea
SMILESCCc1nc(CCNC(=O)NC(CO)c2ccccc2)sc1C
InChIInChI=1S/C17H23N3O2S/c1-3-14-12(2)23-16(19-14)9-10-18-17(22)20-15(11-21)13-7-5-4-6-8-13/h4-8,15,21H,3,9-11H2,1-2H3,(H2,18,20,22)
InChIKeyLVFMRZWQOBRMMO-UHFFFAOYSA-N
XLogP2.59
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-3-(2-hydroxy-1-phenylethyl)urea with MolForge

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Related Compounds

1-[(1S)-2-hydroxy-1-phenylethyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 97008326
1-[(1S)-2-hydroxy-1-phenylethyl]-3-[3-(4-methyl-1,3-thiazol-2-yl)propyl]urea
CID 110007093
1-butyl-3-[(1R)-2-hydroxy-1-phenylethyl]urea
CID 94740192
1-hexyl-3-[(1R)-2-hydroxy-1-phenylethyl]urea
CID 59924188
1-(2-hydroxy-1-phenylethyl)-3-(2-thiophen-3-ylethyl)urea
CID 110895806
1-[(1S)-2-hydroxy-1-phenylethyl]-3-[(5-methylthiophen-2-yl)methyl]urea
CID 75448635
1-[2-(2-fluorophenyl)ethyl]-3-(2-hydroxy-1-phenylethyl)urea
CID 110895025
4-[[(1R)-2-hydroxy-1-phenylethyl]carbamoylamino]butanoic acid
CID 122022193
N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-2-[3-(hydroxymethyl)phenoxy]propanamide
CID 109388958
3-[[(1R)-2-hydroxy-1-phenylethyl]carbamoylamino]-N,N-dimethylpropanamide
CID 122566906
1-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-3-(2-hydroxy-1-phenylethyl)urea
CID 111508991
N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-2,5-difluorobenzamide
CID 52860990

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-3-(2-hydroxy-1-phenylethyl)urea?
The IUPAC name of 1-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-3-(2-hydroxy-1-phenylethyl)urea (CID 110922351) is 1-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-3-(2-hydroxy-1-phenylethyl)urea.
What is the SMILES notation for 1-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-3-(2-hydroxy-1-phenylethyl)urea?
The canonical SMILES for 1-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-3-(2-hydroxy-1-phenylethyl)urea is CCc1nc(CCNC(=O)NC(CO)c2ccccc2)sc1C.
What is the InChIKey of 1-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-3-(2-hydroxy-1-phenylethyl)urea?
The InChIKey is LVFMRZWQOBRMMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2S/c1-3-14-12(2)23-16(19-14)9-10-18-17(22)20-15(11-21)13-7-5-4-6-8-13/h4-8,15,21H,3,9-11H2,1-2H3,(H2,18,20,22).
What are the key properties of 1-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-3-(2-hydroxy-1-phenylethyl)urea?
1-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-3-(2-hydroxy-1-phenylethyl)urea has a molecular weight of 333.46 g/mol, XLogP of 2.59, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-3-(2-hydroxy-1-phenylethyl)urea is sourced from PubChem (CID 110922351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).