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

C17H23N3O2S — CID 111119622

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-[2-hydroxy-2-(2-methylphenyl)ethyl]urea
SMILESCc1nc(C)c(CCNC(=O)NCC(O)c2ccccc2C)s1
InChIInChI=1S/C17H23N3O2S/c1-11-6-4-5-7-14(11)15(21)10-19-17(22)18-9-8-16-12(2)20-13(3)23-16/h4-7,15,21H,8-10H2,1-3H3,(H2,18,19,22)
InChIKeyHRSINQWJUHUFFQ-UHFFFAOYSA-N
MW333.46 g/mol
LogP2.64
Rot. Bonds6

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

1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-[2-hydroxy-2-(2-methylphenyl)ethyl]urea (PubChem CID 111119622) has the molecular formula C17H23N3O2S and a molecular weight of 333.46 g/mol. Its IUPAC name is 1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-[2-hydroxy-2-(2-methylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-[2-hydroxy-2-(2-methylphenyl)ethyl]urea
PubChem CID111119622
Molecular FormulaC17H23N3O2S
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC Name1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-[2-hydroxy-2-(2-methylphenyl)ethyl]urea
SMILESCc1nc(C)c(CCNC(=O)NCC(O)c2ccccc2C)s1
InChIInChI=1S/C17H23N3O2S/c1-11-6-4-5-7-14(11)15(21)10-19-17(22)18-9-8-16-12(2)20-13(3)23-16/h4-7,15,21H,8-10H2,1-3H3,(H2,18,19,22)
InChIKeyHRSINQWJUHUFFQ-UHFFFAOYSA-N
XLogP2.64
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-[2-hydroxy-2-(2-methylphenyl)ethyl]urea?
The IUPAC name of 1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-[2-hydroxy-2-(2-methylphenyl)ethyl]urea (CID 111119622) is 1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-[2-hydroxy-2-(2-methylphenyl)ethyl]urea.
What is the SMILES notation for 1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-[2-hydroxy-2-(2-methylphenyl)ethyl]urea?
The canonical SMILES for 1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-[2-hydroxy-2-(2-methylphenyl)ethyl]urea is Cc1nc(C)c(CCNC(=O)NCC(O)c2ccccc2C)s1.
What is the InChIKey of 1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-[2-hydroxy-2-(2-methylphenyl)ethyl]urea?
The InChIKey is HRSINQWJUHUFFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2S/c1-11-6-4-5-7-14(11)15(21)10-19-17(22)18-9-8-16-12(2)20-13(3)23-16/h4-7,15,21H,8-10H2,1-3H3,(H2,18,19,22).
What are the key properties of 1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-[2-hydroxy-2-(2-methylphenyl)ethyl]urea?
1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-[2-hydroxy-2-(2-methylphenyl)ethyl]urea has a molecular weight of 333.46 g/mol, XLogP of 2.64, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-[2-hydroxy-2-(2-methylphenyl)ethyl]urea is sourced from PubChem (CID 111119622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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