1-(3-fluoro-5-methoxyphenyl)-3-[2-(4-methyl-1,3-thiazol-2-yl)propyl]urea

C15H18FN3O2S — CID 75505155

IUPAC1-(3-fluoro-5-methoxyphenyl)-3-[2-(4-methyl-1,3-thiazol-2-yl)propyl]urea
SMILESCOc1cc(F)cc(NC(=O)NCC(C)c2nc(C)cs2)c1
InChIInChI=1S/C15H18FN3O2S/c1-9(14-18-10(2)8-22-14)7-17-15(20)19-12-4-11(16)5-13(6-12)21-3/h4-6,8-9H,7H2,1-3H3,(H2,17,19,20)
InChIKeyOIJVFABYAVLGNU-UHFFFAOYSA-N
MW323.39 g/mol
LogP3.52
Rot. Bonds5

About 1-(3-fluoro-5-methoxyphenyl)-3-[2-(4-methyl-1,3-thiazol-2-yl)propyl]urea

1-(3-fluoro-5-methoxyphenyl)-3-[2-(4-methyl-1,3-thiazol-2-yl)propyl]urea (PubChem CID 75505155) has the molecular formula C15H18FN3O2S and a molecular weight of 323.39 g/mol. Its IUPAC name is 1-(3-fluoro-5-methoxyphenyl)-3-[2-(4-methyl-1,3-thiazol-2-yl)propyl]urea.

Molecular Properties

Compound Name1-(3-fluoro-5-methoxyphenyl)-3-[2-(4-methyl-1,3-thiazol-2-yl)propyl]urea
PubChem CID75505155
Molecular FormulaC15H18FN3O2S
Molecular Weight323.39 g/mol
Exact Mass323.11
IUPAC Name1-(3-fluoro-5-methoxyphenyl)-3-[2-(4-methyl-1,3-thiazol-2-yl)propyl]urea
SMILESCOc1cc(F)cc(NC(=O)NCC(C)c2nc(C)cs2)c1
InChIInChI=1S/C15H18FN3O2S/c1-9(14-18-10(2)8-22-14)7-17-15(20)19-12-4-11(16)5-13(6-12)21-3/h4-6,8-9H,7H2,1-3H3,(H2,17,19,20)
InChIKeyOIJVFABYAVLGNU-UHFFFAOYSA-N
XLogP3.52
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(1-methoxyethyl)phenyl]-3-[2-(4-methyl-1,3-thiazol-2-yl)propyl]urea
CID 75477535
N-ethyl-4-[2-(4-methyl-1,3-thiazol-2-yl)propylcarbamoylamino]benzamide
CID 75477530
1-(3-fluoro-2-pyridinyl)-3-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)propyl]urea
CID 99840415
1-(1-tert-butylpyrazol-4-yl)-3-[2-(4-methyl-1,3-thiazol-2-yl)propyl]urea
CID 75505131
N-methyl-N-[3-[2-(4-methyl-1,3-thiazol-2-yl)propylcarbamoylamino]phenyl]acetamide
CID 75477546
1-[2-(4-methyl-1,3-thiazol-2-yl)propyl]-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea
CID 75521636
1-(3-fluoro-5-methoxyphenyl)-3-[(2S,3S)-3-methoxybutan-2-yl]urea
CID 100666210
1-(4-methyl-3-oxopyrazin-2-yl)-3-[2-(4-methyl-1,3-thiazol-2-yl)propyl]urea
CID 75505356
1-[4-(dimethylamino)pyrimidin-5-yl]-3-[2-(4-methyl-1,3-thiazol-2-yl)propyl]urea
CID 75505217
1-(3-chloro-5-fluorophenyl)-3-(3-fluoro-5-methoxyphenyl)urea
CID 172732018
1-[(2-methylpyrimidin-4-yl)methyl]-3-[2-(4-methyl-1,3-thiazol-2-yl)propyl]urea
CID 75521277
1-(4-fluoro-2-methoxyphenyl)-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 56824401

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-5-methoxyphenyl)-3-[2-(4-methyl-1,3-thiazol-2-yl)propyl]urea?
The IUPAC name of 1-(3-fluoro-5-methoxyphenyl)-3-[2-(4-methyl-1,3-thiazol-2-yl)propyl]urea (CID 75505155) is 1-(3-fluoro-5-methoxyphenyl)-3-[2-(4-methyl-1,3-thiazol-2-yl)propyl]urea.
What is the SMILES notation for 1-(3-fluoro-5-methoxyphenyl)-3-[2-(4-methyl-1,3-thiazol-2-yl)propyl]urea?
The canonical SMILES for 1-(3-fluoro-5-methoxyphenyl)-3-[2-(4-methyl-1,3-thiazol-2-yl)propyl]urea is COc1cc(F)cc(NC(=O)NCC(C)c2nc(C)cs2)c1.
What is the InChIKey of 1-(3-fluoro-5-methoxyphenyl)-3-[2-(4-methyl-1,3-thiazol-2-yl)propyl]urea?
The InChIKey is OIJVFABYAVLGNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O2S/c1-9(14-18-10(2)8-22-14)7-17-15(20)19-12-4-11(16)5-13(6-12)21-3/h4-6,8-9H,7H2,1-3H3,(H2,17,19,20).
What are the key properties of 1-(3-fluoro-5-methoxyphenyl)-3-[2-(4-methyl-1,3-thiazol-2-yl)propyl]urea?
1-(3-fluoro-5-methoxyphenyl)-3-[2-(4-methyl-1,3-thiazol-2-yl)propyl]urea has a molecular weight of 323.39 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-5-methoxyphenyl)-3-[2-(4-methyl-1,3-thiazol-2-yl)propyl]urea is sourced from PubChem (CID 75505155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).