1-[2-(2,4-difluorophenyl)sulfanylphenyl]-3-(1,3-thiazol-2-yl)urea

C16H11F2N3OS2 — CID 59732885

IUPAC1-[2-(2,4-difluorophenyl)sulfanylphenyl]-3-(1,3-thiazol-2-yl)urea
SMILESO=C(Nc1nccs1)Nc1ccccc1Sc1ccc(F)cc1F
InChIInChI=1S/C16H11F2N3OS2/c17-10-5-6-13(11(18)9-10)24-14-4-2-1-3-12(14)20-15(22)21-16-19-7-8-23-16/h1-9H,(H2,19,20,21,22)
InChIKeyQPKAZXWTFOWACD-UHFFFAOYSA-N
MW363.41 g/mol
LogP5.22
Rot. Bonds4

About 1-[2-(2,4-difluorophenyl)sulfanylphenyl]-3-(1,3-thiazol-2-yl)urea

1-[2-(2,4-difluorophenyl)sulfanylphenyl]-3-(1,3-thiazol-2-yl)urea (PubChem CID 59732885) has the molecular formula C16H11F2N3OS2 and a molecular weight of 363.41 g/mol. Its IUPAC name is 1-[2-(2,4-difluorophenyl)sulfanylphenyl]-3-(1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-[2-(2,4-difluorophenyl)sulfanylphenyl]-3-(1,3-thiazol-2-yl)urea
PubChem CID59732885
Molecular FormulaC16H11F2N3OS2
Molecular Weight363.41 g/mol
Exact Mass363.03
IUPAC Name1-[2-(2,4-difluorophenyl)sulfanylphenyl]-3-(1,3-thiazol-2-yl)urea
SMILESO=C(Nc1nccs1)Nc1ccccc1Sc1ccc(F)cc1F
InChIInChI=1S/C16H11F2N3OS2/c17-10-5-6-13(11(18)9-10)24-14-4-2-1-3-12(14)20-15(22)21-16-19-7-8-23-16/h1-9H,(H2,19,20,21,22)
InChIKeyQPKAZXWTFOWACD-UHFFFAOYSA-N
XLogP5.22
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.41
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-phenylsulfanylphenyl)-3-(1,3-thiazol-2-yl)urea
CID 59732727
2-fluoro-6-(1,3-thiazol-2-ylcarbamoylamino)benzoic acid
CID 61187315
1-[5-fluoro-2-(thiophene-2-carbonyl)phenyl]-3-(1,3-thiazol-2-yl)urea
CID 59733091
N-(2-phenylsulfanylphenyl)-N'-(1,3-thiazol-2-yl)oxamide
CID 108515122
2-[4-fluoro-2-(1,3-thiazol-2-ylcarbamoylamino)phenoxy]-N-methylbenzamide
CID 59732796
1-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-(1,3-thiazol-2-yl)urea
CID 94024696
2-(2,4-difluorophenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 110488848
(2R)-2-amino-2-(2,5-difluorophenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 175993315
1-[2-(4-cyanophenoxy)phenyl]-3-(1,3-thiazol-2-yl)urea
CID 59732941
3-(1,3-thiazol-2-ylcarbamoylamino)pyridine-2-carboxylic acid
CID 113447865
1-(2,4-difluorophenyl)-3-[2-(2,4-dinitrophenyl)sulfanylphenyl]urea
CID 3386859
1-[2-[(3,4-dimethoxyphenyl)methoxy]phenyl]-3-(1,3-thiazol-2-yl)urea
CID 59725734

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-difluorophenyl)sulfanylphenyl]-3-(1,3-thiazol-2-yl)urea?
The IUPAC name of 1-[2-(2,4-difluorophenyl)sulfanylphenyl]-3-(1,3-thiazol-2-yl)urea (CID 59732885) is 1-[2-(2,4-difluorophenyl)sulfanylphenyl]-3-(1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-[2-(2,4-difluorophenyl)sulfanylphenyl]-3-(1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-[2-(2,4-difluorophenyl)sulfanylphenyl]-3-(1,3-thiazol-2-yl)urea is O=C(Nc1nccs1)Nc1ccccc1Sc1ccc(F)cc1F.
What is the InChIKey of 1-[2-(2,4-difluorophenyl)sulfanylphenyl]-3-(1,3-thiazol-2-yl)urea?
The InChIKey is QPKAZXWTFOWACD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F2N3OS2/c17-10-5-6-13(11(18)9-10)24-14-4-2-1-3-12(14)20-15(22)21-16-19-7-8-23-16/h1-9H,(H2,19,20,21,22).
What are the key properties of 1-[2-(2,4-difluorophenyl)sulfanylphenyl]-3-(1,3-thiazol-2-yl)urea?
1-[2-(2,4-difluorophenyl)sulfanylphenyl]-3-(1,3-thiazol-2-yl)urea has a molecular weight of 363.41 g/mol, XLogP of 5.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-difluorophenyl)sulfanylphenyl]-3-(1,3-thiazol-2-yl)urea is sourced from PubChem (CID 59732885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).