1-phenyl-3-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]urea

C18H17N3OS — CID 1497761

IUPAC1-phenyl-3-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]urea
SMILESO=C(NCCc1nc(-c2ccccc2)cs1)Nc1ccccc1
InChIInChI=1S/C18H17N3OS/c22-18(20-15-9-5-2-6-10-15)19-12-11-17-21-16(13-23-17)14-7-3-1-4-8-14/h1-10,13H,11-12H2,(H2,19,20,22)
InChIKeyLRGGIPVCDZYKLJ-UHFFFAOYSA-N
MW323.42 g/mol
LogP4.17
Rot. Bonds5

About 1-phenyl-3-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]urea

1-phenyl-3-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]urea (PubChem CID 1497761) has the molecular formula C18H17N3OS and a molecular weight of 323.42 g/mol. Its IUPAC name is 1-phenyl-3-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-phenyl-3-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]urea
PubChem CID1497761
Molecular FormulaC18H17N3OS
Molecular Weight323.42 g/mol
Exact Mass323.11
IUPAC Name1-phenyl-3-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]urea
SMILESO=C(NCCc1nc(-c2ccccc2)cs1)Nc1ccccc1
InChIInChI=1S/C18H17N3OS/c22-18(20-15-9-5-2-6-10-15)19-12-11-17-21-16(13-23-17)14-7-3-1-4-8-14/h1-10,13H,11-12H2,(H2,19,20,22)
InChIKeyLRGGIPVCDZYKLJ-UHFFFAOYSA-N
XLogP4.17
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]urea?
The IUPAC name of 1-phenyl-3-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]urea (CID 1497761) is 1-phenyl-3-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]urea.
What is the SMILES notation for 1-phenyl-3-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]urea?
The canonical SMILES for 1-phenyl-3-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]urea is O=C(NCCc1nc(-c2ccccc2)cs1)Nc1ccccc1.
What is the InChIKey of 1-phenyl-3-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]urea?
The InChIKey is LRGGIPVCDZYKLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3OS/c22-18(20-15-9-5-2-6-10-15)19-12-11-17-21-16(13-23-17)14-7-3-1-4-8-14/h1-10,13H,11-12H2,(H2,19,20,22).
What are the key properties of 1-phenyl-3-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]urea?
1-phenyl-3-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]urea has a molecular weight of 323.42 g/mol, XLogP of 4.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]urea is sourced from PubChem (CID 1497761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).