1-(2-phenylsulfanylphenyl)-3-(1,3-thiazol-2-yl)urea

C16H13N3OS2 — CID 59732727

IUPAC1-(2-phenylsulfanylphenyl)-3-(1,3-thiazol-2-yl)urea
SMILESO=C(Nc1nccs1)Nc1ccccc1Sc1ccccc1
InChIInChI=1S/C16H13N3OS2/c20-15(19-16-17-10-11-21-16)18-13-8-4-5-9-14(13)22-12-6-2-1-3-7-12/h1-11H,(H2,17,18,19,20)
InChIKeyFJZZKNZYDNTLJJ-UHFFFAOYSA-N
MW327.43 g/mol
LogP4.94
Rot. Bonds4

About 1-(2-phenylsulfanylphenyl)-3-(1,3-thiazol-2-yl)urea

1-(2-phenylsulfanylphenyl)-3-(1,3-thiazol-2-yl)urea (PubChem CID 59732727) has the molecular formula C16H13N3OS2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 1-(2-phenylsulfanylphenyl)-3-(1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-(2-phenylsulfanylphenyl)-3-(1,3-thiazol-2-yl)urea
PubChem CID59732727
Molecular FormulaC16H13N3OS2
Molecular Weight327.43 g/mol
Exact Mass327.05
IUPAC Name1-(2-phenylsulfanylphenyl)-3-(1,3-thiazol-2-yl)urea
SMILESO=C(Nc1nccs1)Nc1ccccc1Sc1ccccc1
InChIInChI=1S/C16H13N3OS2/c20-15(19-16-17-10-11-21-16)18-13-8-4-5-9-14(13)22-12-6-2-1-3-7-12/h1-11H,(H2,17,18,19,20)
InChIKeyFJZZKNZYDNTLJJ-UHFFFAOYSA-N
XLogP4.94
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylsulfanylphenyl)-3-(1,3-thiazol-2-yl)urea?
The IUPAC name of 1-(2-phenylsulfanylphenyl)-3-(1,3-thiazol-2-yl)urea (CID 59732727) is 1-(2-phenylsulfanylphenyl)-3-(1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-(2-phenylsulfanylphenyl)-3-(1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-(2-phenylsulfanylphenyl)-3-(1,3-thiazol-2-yl)urea is O=C(Nc1nccs1)Nc1ccccc1Sc1ccccc1.
What is the InChIKey of 1-(2-phenylsulfanylphenyl)-3-(1,3-thiazol-2-yl)urea?
The InChIKey is FJZZKNZYDNTLJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3OS2/c20-15(19-16-17-10-11-21-16)18-13-8-4-5-9-14(13)22-12-6-2-1-3-7-12/h1-11H,(H2,17,18,19,20).
What are the key properties of 1-(2-phenylsulfanylphenyl)-3-(1,3-thiazol-2-yl)urea?
1-(2-phenylsulfanylphenyl)-3-(1,3-thiazol-2-yl)urea has a molecular weight of 327.43 g/mol, XLogP of 4.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylsulfanylphenyl)-3-(1,3-thiazol-2-yl)urea is sourced from PubChem (CID 59732727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).