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

C17H16FN3O2S — CID 121123811

IUPAC1-(3-fluoro-4-methylphenyl)-3-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]urea
SMILESCc1ccc(NC(=O)NCc2sc(-c3ccco3)nc2C)cc1F
InChIInChI=1S/C17H16FN3O2S/c1-10-5-6-12(8-13(10)18)21-17(22)19-9-15-11(2)20-16(24-15)14-4-3-7-23-14/h3-8H,9H2,1-2H3,(H2,19,21,22)
InChIKeyBMDVKWABFNSWCT-UHFFFAOYSA-N
MW345.40 g/mol
LogP4.48
Rot. Bonds4

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

1-(3-fluoro-4-methylphenyl)-3-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]urea (PubChem CID 121123811) has the molecular formula C17H16FN3O2S and a molecular weight of 345.40 g/mol. Its IUPAC name is 1-(3-fluoro-4-methylphenyl)-3-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]urea.

Molecular Properties

Compound Name1-(3-fluoro-4-methylphenyl)-3-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]urea
PubChem CID121123811
Molecular FormulaC17H16FN3O2S
Molecular Weight345.40 g/mol
Exact Mass345.09
IUPAC Name1-(3-fluoro-4-methylphenyl)-3-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]urea
SMILESCc1ccc(NC(=O)NCc2sc(-c3ccco3)nc2C)cc1F
InChIInChI=1S/C17H16FN3O2S/c1-10-5-6-12(8-13(10)18)21-17(22)19-9-15-11(2)20-16(24-15)14-4-3-7-23-14/h3-8H,9H2,1-2H3,(H2,19,21,22)
InChIKeyBMDVKWABFNSWCT-UHFFFAOYSA-N
XLogP4.48
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,5-dimethoxyphenyl)-3-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]urea
CID 121123831
1-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 121123828
1-[(4-fluorophenyl)methyl]-3-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]urea
CID 71795691
N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-3,4-dimethylbenzamide
CID 121123528
2-fluoro-N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]benzamide
CID 121123478
2-(2-fluorophenyl)-N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]acetamide
CID 121123607
1-(2-ethoxyphenyl)-3-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]urea
CID 121123829
1-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-3-(naphthalen-1-ylmethyl)urea
CID 121123827
N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-3-methylbutanamide
CID 121123522
1-[(3,4-dimethoxyphenyl)methyl]-3-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]urea
CID 71795690
N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-1,2-oxazole-5-carboxamide
CID 121123610
1-(3-fluorophenyl)-3-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]urea
CID 90547279

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methylphenyl)-3-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]urea?
The IUPAC name of 1-(3-fluoro-4-methylphenyl)-3-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]urea (CID 121123811) is 1-(3-fluoro-4-methylphenyl)-3-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]urea.
What is the SMILES notation for 1-(3-fluoro-4-methylphenyl)-3-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]urea?
The canonical SMILES for 1-(3-fluoro-4-methylphenyl)-3-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]urea is Cc1ccc(NC(=O)NCc2sc(-c3ccco3)nc2C)cc1F.
What is the InChIKey of 1-(3-fluoro-4-methylphenyl)-3-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]urea?
The InChIKey is BMDVKWABFNSWCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O2S/c1-10-5-6-12(8-13(10)18)21-17(22)19-9-15-11(2)20-16(24-15)14-4-3-7-23-14/h3-8H,9H2,1-2H3,(H2,19,21,22).
What are the key properties of 1-(3-fluoro-4-methylphenyl)-3-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]urea?
1-(3-fluoro-4-methylphenyl)-3-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]urea has a molecular weight of 345.40 g/mol, XLogP of 4.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methylphenyl)-3-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]urea is sourced from PubChem (CID 121123811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).