1-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]-3-[3-(4-methyl-1,3-thiazol-2-yl)propyl]urea

C17H23N3O2S — CID 95767334

IUPAC1-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]-3-[3-(4-methyl-1,3-thiazol-2-yl)propyl]urea
SMILESCc1csc(CCCNC(=O)NC[C@H](O)c2ccccc2C)n1
InChIInChI=1S/C17H23N3O2S/c1-12-6-3-4-7-14(12)15(21)10-19-17(22)18-9-5-8-16-20-13(2)11-23-16/h3-4,6-7,11,15,21H,5,8-10H2,1-2H3,(H2,18,19,22)/t15-/m0/s1
InChIKeyZTGFUESBVSSIPK-HNNXBMFYSA-N
MW333.46 g/mol
LogP2.73
Rot. Bonds7

About 1-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]-3-[3-(4-methyl-1,3-thiazol-2-yl)propyl]urea

1-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]-3-[3-(4-methyl-1,3-thiazol-2-yl)propyl]urea (PubChem CID 95767334) has the molecular formula C17H23N3O2S and a molecular weight of 333.46 g/mol. Its IUPAC name is 1-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]-3-[3-(4-methyl-1,3-thiazol-2-yl)propyl]urea.

Molecular Properties

Compound Name1-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]-3-[3-(4-methyl-1,3-thiazol-2-yl)propyl]urea
PubChem CID95767334
Molecular FormulaC17H23N3O2S
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC Name1-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]-3-[3-(4-methyl-1,3-thiazol-2-yl)propyl]urea
SMILESCc1csc(CCCNC(=O)NC[C@H](O)c2ccccc2C)n1
InChIInChI=1S/C17H23N3O2S/c1-12-6-3-4-7-14(12)15(21)10-19-17(22)18-9-5-8-16-20-13(2)11-23-16/h3-4,6-7,11,15,21H,5,8-10H2,1-2H3,(H2,18,19,22)/t15-/m0/s1
InChIKeyZTGFUESBVSSIPK-HNNXBMFYSA-N
XLogP2.73
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 ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]-3-[3-(4-methyl-1,3-thiazol-2-yl)propyl]urea?
The IUPAC name of 1-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]-3-[3-(4-methyl-1,3-thiazol-2-yl)propyl]urea (CID 95767334) is 1-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]-3-[3-(4-methyl-1,3-thiazol-2-yl)propyl]urea.
What is the SMILES notation for 1-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]-3-[3-(4-methyl-1,3-thiazol-2-yl)propyl]urea?
The canonical SMILES for 1-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]-3-[3-(4-methyl-1,3-thiazol-2-yl)propyl]urea is Cc1csc(CCCNC(=O)NC[C@H](O)c2ccccc2C)n1.
What is the InChIKey of 1-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]-3-[3-(4-methyl-1,3-thiazol-2-yl)propyl]urea?
The InChIKey is ZTGFUESBVSSIPK-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H23N3O2S/c1-12-6-3-4-7-14(12)15(21)10-19-17(22)18-9-5-8-16-20-13(2)11-23-16/h3-4,6-7,11,15,21H,5,8-10H2,1-2H3,(H2,18,19,22)/t15-/m0/s1.
What are the key properties of 1-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]-3-[3-(4-methyl-1,3-thiazol-2-yl)propyl]urea?
1-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]-3-[3-(4-methyl-1,3-thiazol-2-yl)propyl]urea has a molecular weight of 333.46 g/mol, XLogP of 2.73, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]-3-[3-(4-methyl-1,3-thiazol-2-yl)propyl]urea is sourced from PubChem (CID 95767334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).