1-[4-[(4-fluoro-1,3-benzothiazol-2-yl)oxy]phenyl]-3-propan-2-ylurea

C17H16FN3O2S — CID 126644895

IUPAC1-[4-[(4-fluoro-1,3-benzothiazol-2-yl)oxy]phenyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)Nc1ccc(Oc2nc3c(F)cccc3s2)cc1
InChIInChI=1S/C17H16FN3O2S/c1-10(2)19-16(22)20-11-6-8-12(9-7-11)23-17-21-15-13(18)4-3-5-14(15)24-17/h3-10H,1-2H3,(H2,19,20,22)
InChIKeyNZGWLOVOPVLMFL-UHFFFAOYSA-N
MW345.40 g/mol
LogP4.76
Rot. Bonds4

About 1-[4-[(4-fluoro-1,3-benzothiazol-2-yl)oxy]phenyl]-3-propan-2-ylurea

1-[4-[(4-fluoro-1,3-benzothiazol-2-yl)oxy]phenyl]-3-propan-2-ylurea (PubChem CID 126644895) has the molecular formula C17H16FN3O2S and a molecular weight of 345.40 g/mol. Its IUPAC name is 1-[4-[(4-fluoro-1,3-benzothiazol-2-yl)oxy]phenyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[4-[(4-fluoro-1,3-benzothiazol-2-yl)oxy]phenyl]-3-propan-2-ylurea
PubChem CID126644895
Molecular FormulaC17H16FN3O2S
Molecular Weight345.40 g/mol
Exact Mass345.09
IUPAC Name1-[4-[(4-fluoro-1,3-benzothiazol-2-yl)oxy]phenyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)Nc1ccc(Oc2nc3c(F)cccc3s2)cc1
InChIInChI=1S/C17H16FN3O2S/c1-10(2)19-16(22)20-11-6-8-12(9-7-11)23-17-21-15-13(18)4-3-5-14(15)24-17/h3-10H,1-2H3,(H2,19,20,22)
InChIKeyNZGWLOVOPVLMFL-UHFFFAOYSA-N
XLogP4.76
TPSA63.25 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 ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxyphenyl)-3-propan-2-ylurea
CID 4616042
1-[(1S,4R)-5-[[4-[(4-fluoro-1,3-benzothiazol-2-yl)oxy]phenyl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanone
CID 54575599
1-[(1S,4S)-5-[[4-[(4-fluoro-1,3-benzothiazol-2-yl)oxy]phenyl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanone
CID 67207468
1-benzhydryl-3-(4-fluoro-1,3-benzothiazol-2-yl)urea
CID 121082406
1-(3,5-dimethylphenyl)-3-(4-fluoro-1,3-benzothiazol-2-yl)urea
CID 121080751
1-[6-(2-fluorophenoxy)-3-pyridinyl]-3-propan-2-ylurea
CID 42878509
3-[[4-[(4-fluoro-1,3-benzothiazol-2-yl)oxy]phenyl]methylamino]-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 76588692
3-(2-fluorophenyl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]propanamide
CID 38196539
1-[4-(6-chloroquinolin-2-yl)oxyphenyl]-3-propan-2-ylurea
CID 126644832
4-methyl-N-[4-[4-(propan-2-ylcarbamoylamino)phenoxy]phenyl]benzamide
CID 143491833
1-[4-[[(2-fluorophenyl)methylamino]methyl]phenyl]-3-propan-2-ylurea
CID 47052737
1-[4-(2,6-dimethylanilino)phenyl]-3-propan-2-ylurea
CID 112986426

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-fluoro-1,3-benzothiazol-2-yl)oxy]phenyl]-3-propan-2-ylurea?
The IUPAC name of 1-[4-[(4-fluoro-1,3-benzothiazol-2-yl)oxy]phenyl]-3-propan-2-ylurea (CID 126644895) is 1-[4-[(4-fluoro-1,3-benzothiazol-2-yl)oxy]phenyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[4-[(4-fluoro-1,3-benzothiazol-2-yl)oxy]phenyl]-3-propan-2-ylurea?
The canonical SMILES for 1-[4-[(4-fluoro-1,3-benzothiazol-2-yl)oxy]phenyl]-3-propan-2-ylurea is CC(C)NC(=O)Nc1ccc(Oc2nc3c(F)cccc3s2)cc1.
What is the InChIKey of 1-[4-[(4-fluoro-1,3-benzothiazol-2-yl)oxy]phenyl]-3-propan-2-ylurea?
The InChIKey is NZGWLOVOPVLMFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O2S/c1-10(2)19-16(22)20-11-6-8-12(9-7-11)23-17-21-15-13(18)4-3-5-14(15)24-17/h3-10H,1-2H3,(H2,19,20,22).
What are the key properties of 1-[4-[(4-fluoro-1,3-benzothiazol-2-yl)oxy]phenyl]-3-propan-2-ylurea?
1-[4-[(4-fluoro-1,3-benzothiazol-2-yl)oxy]phenyl]-3-propan-2-ylurea has a molecular weight of 345.40 g/mol, XLogP of 4.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-fluoro-1,3-benzothiazol-2-yl)oxy]phenyl]-3-propan-2-ylurea is sourced from PubChem (CID 126644895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).