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

C15H19N3O2S — CID 111840994

IUPAC1-(2-hydroxy-1-phenylethyl)-3-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]urea
SMILESCc1cnc(C(C)NC(=O)NC(CO)c2ccccc2)s1
InChIInChI=1S/C15H19N3O2S/c1-10-8-16-14(21-10)11(2)17-15(20)18-13(9-19)12-6-4-3-5-7-12/h3-8,11,13,19H,9H2,1-2H3,(H2,17,18,20)
InChIKeyYZAHFUYYWVOQFE-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.55
Rot. Bonds5

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

1-(2-hydroxy-1-phenylethyl)-3-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]urea (PubChem CID 111840994) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 1-(2-hydroxy-1-phenylethyl)-3-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-(2-hydroxy-1-phenylethyl)-3-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]urea
PubChem CID111840994
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name1-(2-hydroxy-1-phenylethyl)-3-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]urea
SMILESCc1cnc(C(C)NC(=O)NC(CO)c2ccccc2)s1
InChIInChI=1S/C15H19N3O2S/c1-10-8-16-14(21-10)11(2)17-15(20)18-13(9-19)12-6-4-3-5-7-12/h3-8,11,13,19H,9H2,1-2H3,(H2,17,18,20)
InChIKeyYZAHFUYYWVOQFE-UHFFFAOYSA-N
XLogP2.55
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-3-(2-hydroxy-1-phenylethyl)urea
CID 111508037
3-amino-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-phenylpropanamide;dihydrochloride
CID 119898098
1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-(2-hydroxy-1-phenylethyl)urea
CID 110895795
1-[(1S)-2-hydroxy-1-phenylethyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 97008326
1-[(1R)-2-hydroxy-1-phenylethyl]-3-propan-2-ylurea
CID 103763270
1-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-propylurea
CID 115680005
3-hydroxy-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-phenylbutanamide
CID 110025690
1-[(1S)-2-hydroxy-1-phenylethyl]-3-[(5-methylthiophen-2-yl)methyl]urea
CID 75448635
1-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-(2,2,2-trifluoroethyl)urea
CID 113251523
2-[[1-(5-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]methyl]butanoic acid
CID 113387472
4-(5-methyl-1,3-thiazol-2-yl)-4-phenylbutan-2-one
CID 174635497
N-(2-hydroxy-1-phenylethyl)-5-methylthiophene-2-carboxamide
CID 63184449

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-1-phenylethyl)-3-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]urea?
The IUPAC name of 1-(2-hydroxy-1-phenylethyl)-3-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]urea (CID 111840994) is 1-(2-hydroxy-1-phenylethyl)-3-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]urea.
What is the SMILES notation for 1-(2-hydroxy-1-phenylethyl)-3-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]urea?
The canonical SMILES for 1-(2-hydroxy-1-phenylethyl)-3-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]urea is Cc1cnc(C(C)NC(=O)NC(CO)c2ccccc2)s1.
What is the InChIKey of 1-(2-hydroxy-1-phenylethyl)-3-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]urea?
The InChIKey is YZAHFUYYWVOQFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-10-8-16-14(21-10)11(2)17-15(20)18-13(9-19)12-6-4-3-5-7-12/h3-8,11,13,19H,9H2,1-2H3,(H2,17,18,20).
What are the key properties of 1-(2-hydroxy-1-phenylethyl)-3-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]urea?
1-(2-hydroxy-1-phenylethyl)-3-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]urea has a molecular weight of 305.40 g/mol, XLogP of 2.55, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-1-phenylethyl)-3-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]urea is sourced from PubChem (CID 111840994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).