1-(2-hydroxy-1-phenylethyl)-1-(5-propan-2-yl-1,3-thiazol-2-yl)urea

C15H19N3O2S — CID 57030359

IUPAC1-(2-hydroxy-1-phenylethyl)-1-(5-propan-2-yl-1,3-thiazol-2-yl)urea
SMILESCC(C)c1cnc(N(C(N)=O)C(CO)c2ccccc2)s1
InChIInChI=1S/C15H19N3O2S/c1-10(2)13-8-17-15(21-13)18(14(16)20)12(9-19)11-6-4-3-5-7-11/h3-8,10,12,19H,9H2,1-2H3,(H2,16,20)
InChIKeyQSCQIADLYIMKGG-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.89
Rot. Bonds5

About 1-(2-hydroxy-1-phenylethyl)-1-(5-propan-2-yl-1,3-thiazol-2-yl)urea

1-(2-hydroxy-1-phenylethyl)-1-(5-propan-2-yl-1,3-thiazol-2-yl)urea (PubChem CID 57030359) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 1-(2-hydroxy-1-phenylethyl)-1-(5-propan-2-yl-1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-(2-hydroxy-1-phenylethyl)-1-(5-propan-2-yl-1,3-thiazol-2-yl)urea
PubChem CID57030359
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name1-(2-hydroxy-1-phenylethyl)-1-(5-propan-2-yl-1,3-thiazol-2-yl)urea
SMILESCC(C)c1cnc(N(C(N)=O)C(CO)c2ccccc2)s1
InChIInChI=1S/C15H19N3O2S/c1-10(2)13-8-17-15(21-13)18(14(16)20)12(9-19)11-6-4-3-5-7-11/h3-8,10,12,19H,9H2,1-2H3,(H2,16,20)
InChIKeyQSCQIADLYIMKGG-UHFFFAOYSA-N
XLogP2.89
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-1-phenylethyl)-1-(5-propan-2-yl-1,3-thiazol-2-yl)urea?
The IUPAC name of 1-(2-hydroxy-1-phenylethyl)-1-(5-propan-2-yl-1,3-thiazol-2-yl)urea (CID 57030359) is 1-(2-hydroxy-1-phenylethyl)-1-(5-propan-2-yl-1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-(2-hydroxy-1-phenylethyl)-1-(5-propan-2-yl-1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-(2-hydroxy-1-phenylethyl)-1-(5-propan-2-yl-1,3-thiazol-2-yl)urea is CC(C)c1cnc(N(C(N)=O)C(CO)c2ccccc2)s1.
What is the InChIKey of 1-(2-hydroxy-1-phenylethyl)-1-(5-propan-2-yl-1,3-thiazol-2-yl)urea?
The InChIKey is QSCQIADLYIMKGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-10(2)13-8-17-15(21-13)18(14(16)20)12(9-19)11-6-4-3-5-7-11/h3-8,10,12,19H,9H2,1-2H3,(H2,16,20).
What are the key properties of 1-(2-hydroxy-1-phenylethyl)-1-(5-propan-2-yl-1,3-thiazol-2-yl)urea?
1-(2-hydroxy-1-phenylethyl)-1-(5-propan-2-yl-1,3-thiazol-2-yl)urea has a molecular weight of 305.40 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-1-phenylethyl)-1-(5-propan-2-yl-1,3-thiazol-2-yl)urea is sourced from PubChem (CID 57030359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).