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

C16H13N3OS — CID 832542

IUPAC1-phenyl-3-(4-phenyl-1,3-thiazol-2-yl)urea
SMILESO=C(Nc1ccccc1)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C16H13N3OS/c20-15(17-13-9-5-2-6-10-13)19-16-18-14(11-21-16)12-7-3-1-4-8-12/h1-11H,(H2,17,18,19,20)
InChIKeyNZYWMMNENUUGQQ-UHFFFAOYSA-N
MW295.37 g/mol
LogP4.45
Rot. Bonds3

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

1-phenyl-3-(4-phenyl-1,3-thiazol-2-yl)urea (PubChem CID 832542) has the molecular formula C16H13N3OS and a molecular weight of 295.37 g/mol. Its IUPAC name is 1-phenyl-3-(4-phenyl-1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-phenyl-3-(4-phenyl-1,3-thiazol-2-yl)urea
PubChem CID832542
Molecular FormulaC16H13N3OS
Molecular Weight295.37 g/mol
Exact Mass295.08
IUPAC Name1-phenyl-3-(4-phenyl-1,3-thiazol-2-yl)urea
SMILESO=C(Nc1ccccc1)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C16H13N3OS/c20-15(17-13-9-5-2-6-10-13)19-16-18-14(11-21-16)12-7-3-1-4-8-12/h1-11H,(H2,17,18,19,20)
InChIKeyNZYWMMNENUUGQQ-UHFFFAOYSA-N
XLogP4.45
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-(4-phenyl-1,3-thiazol-2-yl)urea?
The IUPAC name of 1-phenyl-3-(4-phenyl-1,3-thiazol-2-yl)urea (CID 832542) is 1-phenyl-3-(4-phenyl-1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-phenyl-3-(4-phenyl-1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-phenyl-3-(4-phenyl-1,3-thiazol-2-yl)urea is O=C(Nc1ccccc1)Nc1nc(-c2ccccc2)cs1.
What is the InChIKey of 1-phenyl-3-(4-phenyl-1,3-thiazol-2-yl)urea?
The InChIKey is NZYWMMNENUUGQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3OS/c20-15(17-13-9-5-2-6-10-13)19-16-18-14(11-21-16)12-7-3-1-4-8-12/h1-11H,(H2,17,18,19,20).
What are the key properties of 1-phenyl-3-(4-phenyl-1,3-thiazol-2-yl)urea?
1-phenyl-3-(4-phenyl-1,3-thiazol-2-yl)urea has a molecular weight of 295.37 g/mol, XLogP of 4.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-(4-phenyl-1,3-thiazol-2-yl)urea is sourced from PubChem (CID 832542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).