1-(3-fluoro-2-methylphenyl)-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea

C15H17FN2O2S — CID 111521345

IUPAC1-(3-fluoro-2-methylphenyl)-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea
SMILESCc1c(F)cccc1NC(=O)NCC(C)(O)c1ccsc1
InChIInChI=1S/C15H17FN2O2S/c1-10-12(16)4-3-5-13(10)18-14(19)17-9-15(2,20)11-6-7-21-8-11/h3-8,20H,9H2,1-2H3,(H2,17,18,19)
InChIKeyVPVHIDSRHSDFRH-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.22
Rot. Bonds4

About 1-(3-fluoro-2-methylphenyl)-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea

1-(3-fluoro-2-methylphenyl)-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea (PubChem CID 111521345) has the molecular formula C15H17FN2O2S and a molecular weight of 308.38 g/mol. Its IUPAC name is 1-(3-fluoro-2-methylphenyl)-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea.

Molecular Properties

Compound Name1-(3-fluoro-2-methylphenyl)-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea
PubChem CID111521345
Molecular FormulaC15H17FN2O2S
Molecular Weight308.38 g/mol
Exact Mass308.10
IUPAC Name1-(3-fluoro-2-methylphenyl)-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea
SMILESCc1c(F)cccc1NC(=O)NCC(C)(O)c1ccsc1
InChIInChI=1S/C15H17FN2O2S/c1-10-12(16)4-3-5-13(10)18-14(19)17-9-15(2,20)11-6-7-21-8-11/h3-8,20H,9H2,1-2H3,(H2,17,18,19)
InChIKeyVPVHIDSRHSDFRH-UHFFFAOYSA-N
XLogP3.22
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-phenylurea
CID 111450187
1-[(2R)-2-hydroxy-2-thiophen-3-ylpropyl]-3-(1-methyl-2-oxo-3-pyridinyl)urea
CID 95782891
2,3-difluoro-N-(2-hydroxy-2-thiophen-3-ylpropyl)benzamide
CID 111451668
1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-[2-(5-methylpyrazol-1-yl)phenyl]urea
CID 126773459
(Z)-3-(2,6-difluorophenyl)-N-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]prop-2-enamide
CID 97359554
(E)-3-(2,6-difluorophenyl)-N-[(2R)-2-hydroxy-2-thiophen-3-ylpropyl]prop-2-enamide
CID 95784614
1-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea
CID 71847782
1-(4-acetylphenyl)-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea
CID 111450202
1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(naphthalen-1-ylmethyl)urea
CID 111450577
N-(2-hydroxy-2-thiophen-3-ylpropyl)-2,2-dimethylpropanamide
CID 111452293
1-(4,6-dimethyl-2-pyridinyl)-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea
CID 75523367
3,4-difluoro-N-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]benzamide
CID 96521380

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-2-methylphenyl)-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea?
The IUPAC name of 1-(3-fluoro-2-methylphenyl)-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea (CID 111521345) is 1-(3-fluoro-2-methylphenyl)-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea.
What is the SMILES notation for 1-(3-fluoro-2-methylphenyl)-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea?
The canonical SMILES for 1-(3-fluoro-2-methylphenyl)-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea is Cc1c(F)cccc1NC(=O)NCC(C)(O)c1ccsc1.
What is the InChIKey of 1-(3-fluoro-2-methylphenyl)-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea?
The InChIKey is VPVHIDSRHSDFRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2S/c1-10-12(16)4-3-5-13(10)18-14(19)17-9-15(2,20)11-6-7-21-8-11/h3-8,20H,9H2,1-2H3,(H2,17,18,19).
What are the key properties of 1-(3-fluoro-2-methylphenyl)-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea?
1-(3-fluoro-2-methylphenyl)-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea has a molecular weight of 308.38 g/mol, XLogP of 3.22, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-2-methylphenyl)-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea is sourced from PubChem (CID 111521345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).