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

C14H16FN3O2S — CID 56824401

IUPAC1-(4-fluoro-2-methoxyphenyl)-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
SMILESCOc1cc(F)ccc1NC(=O)NC(C)c1nc(C)cs1
InChIInChI=1S/C14H16FN3O2S/c1-8-7-21-13(16-8)9(2)17-14(19)18-11-5-4-10(15)6-12(11)20-3/h4-7,9H,1-3H3,(H2,17,18,19)
InChIKeyNKEOGSNQKZGSSO-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.48
Rot. Bonds4

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

1-(4-fluoro-2-methoxyphenyl)-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea (PubChem CID 56824401) has the molecular formula C14H16FN3O2S and a molecular weight of 309.37 g/mol. Its IUPAC name is 1-(4-fluoro-2-methoxyphenyl)-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-(4-fluoro-2-methoxyphenyl)-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
PubChem CID56824401
Molecular FormulaC14H16FN3O2S
Molecular Weight309.37 g/mol
Exact Mass309.09
IUPAC Name1-(4-fluoro-2-methoxyphenyl)-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
SMILESCOc1cc(F)ccc1NC(=O)NC(C)c1nc(C)cs1
InChIInChI=1S/C14H16FN3O2S/c1-8-7-21-13(16-8)9(2)17-14(19)18-11-5-4-10(15)6-12(11)20-3/h4-7,9H,1-3H3,(H2,17,18,19)
InChIKeyNKEOGSNQKZGSSO-UHFFFAOYSA-N
XLogP3.48
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(2-bromophenyl)ethyl]-3-(4-fluoro-2-methoxyphenyl)urea
CID 55697289
4-fluoro-2-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 112702418
1-(4-fluoro-2-methoxyphenyl)-3-(2-methyl-1-thiophen-2-ylpropyl)urea
CID 55697257
4-fluoro-2-iodo-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 103642131
1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-(trifluoromethyl)phenyl]-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 10075742
3-(4-fluoro-2-methoxyanilino)-2-methyl-3-oxopropanoic acid
CID 114898275
1-(4-fluoro-2-methoxyphenyl)-3-(1-hydroxy-4-methylpentan-3-yl)urea
CID 111473635
2-methyl-3-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]-3-oxopropanoic acid
CID 114898569
N-[4-[[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]carbamoylamino]phenyl]propanamide
CID 95311131
1-(2-tert-butylpyrimidin-5-yl)-3-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 95313485
(2R)-2-amino-N-(4-fluoro-2-methoxyphenyl)-3-methylbutanamide
CID 79013529
(2R)-2-[1-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]propanoic acid
CID 78995805

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methoxyphenyl)-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea?
The IUPAC name of 1-(4-fluoro-2-methoxyphenyl)-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea (CID 56824401) is 1-(4-fluoro-2-methoxyphenyl)-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea.
What is the SMILES notation for 1-(4-fluoro-2-methoxyphenyl)-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea?
The canonical SMILES for 1-(4-fluoro-2-methoxyphenyl)-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea is COc1cc(F)ccc1NC(=O)NC(C)c1nc(C)cs1.
What is the InChIKey of 1-(4-fluoro-2-methoxyphenyl)-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea?
The InChIKey is NKEOGSNQKZGSSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O2S/c1-8-7-21-13(16-8)9(2)17-14(19)18-11-5-4-10(15)6-12(11)20-3/h4-7,9H,1-3H3,(H2,17,18,19).
What are the key properties of 1-(4-fluoro-2-methoxyphenyl)-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea?
1-(4-fluoro-2-methoxyphenyl)-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea has a molecular weight of 309.37 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-methoxyphenyl)-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea is sourced from PubChem (CID 56824401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).