1-[(R)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[(2R)-1-(3-fluorophenoxy)propan-2-yl]urea

C17H20FN3O2S — CID 97218961

IUPAC1-[(R)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[(2R)-1-(3-fluorophenoxy)propan-2-yl]urea
SMILESC[C@H](COc1cccc(F)c1)NC(=O)N[C@@H](c1nccs1)C1CC1
InChIInChI=1S/C17H20FN3O2S/c1-11(10-23-14-4-2-3-13(18)9-14)20-17(22)21-15(12-5-6-12)16-19-7-8-24-16/h2-4,7-9,11-12,15H,5-6,10H2,1H3,(H2,20,21,22)/t11-,15-/m1/s1
InChIKeyIZRWEMXHQWLELG-IAQYHMDHSA-N
MW349.43 g/mol
LogP3.50
Rot. Bonds7

About 1-[(R)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[(2R)-1-(3-fluorophenoxy)propan-2-yl]urea

1-[(R)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[(2R)-1-(3-fluorophenoxy)propan-2-yl]urea (PubChem CID 97218961) has the molecular formula C17H20FN3O2S and a molecular weight of 349.43 g/mol. Its IUPAC name is 1-[(R)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[(2R)-1-(3-fluorophenoxy)propan-2-yl]urea.

Molecular Properties

Compound Name1-[(R)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[(2R)-1-(3-fluorophenoxy)propan-2-yl]urea
PubChem CID97218961
Molecular FormulaC17H20FN3O2S
Molecular Weight349.43 g/mol
Exact Mass349.13
IUPAC Name1-[(R)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[(2R)-1-(3-fluorophenoxy)propan-2-yl]urea
SMILESC[C@H](COc1cccc(F)c1)NC(=O)N[C@@H](c1nccs1)C1CC1
InChIInChI=1S/C17H20FN3O2S/c1-11(10-23-14-4-2-3-13(18)9-14)20-17(22)21-15(12-5-6-12)16-19-7-8-24-16/h2-4,7-9,11-12,15H,5-6,10H2,1H3,(H2,20,21,22)/t11-,15-/m1/s1
InChIKeyIZRWEMXHQWLELG-IAQYHMDHSA-N
XLogP3.50
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(R)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[(2R)-1-(3-fluorophenoxy)propan-2-yl]urea with MolForge

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Related Compounds

1-[cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[(1R)-3-hydroxy-1-phenylpropyl]urea
CID 111506905
1-[(R)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[2-(3-hydroxyphenyl)ethyl]urea
CID 96520241
6-[(3-fluorophenoxy)methyl]-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide
CID 54674404
(2S)-N-[(2S)-1-(3-fluorophenoxy)propan-2-yl]piperidine-2-carboxamide
CID 97235197
1-[2-(dimethylamino)pyrimidin-5-yl]-3-[1-(3-fluorophenoxy)propan-2-yl]urea
CID 167746140
N-[(2S)-1-(3-fluorophenoxy)propan-2-yl]-3-pyrazol-1-ylpropanamide
CID 100662600
1-[cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[2-(ethoxymethyl)phenyl]urea
CID 71992541
1-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
CID 96518570
1-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[(1R,3R)-3-methylcyclohexyl]urea
CID 100895196
1-[cyclopropyl(1,3-thiazol-2-yl)methyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 71985733
1-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]urea
CID 95907898
N-[[4-[(S)-(cyclopropanecarbonylamino)-(1,3-thiazol-2-yl)methyl]cyclohexyl]methyl]-3-fluoro-4-methylbenzamide
CID 98077276

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[(2R)-1-(3-fluorophenoxy)propan-2-yl]urea?
The IUPAC name of 1-[(R)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[(2R)-1-(3-fluorophenoxy)propan-2-yl]urea (CID 97218961) is 1-[(R)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[(2R)-1-(3-fluorophenoxy)propan-2-yl]urea.
What is the SMILES notation for 1-[(R)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[(2R)-1-(3-fluorophenoxy)propan-2-yl]urea?
The canonical SMILES for 1-[(R)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[(2R)-1-(3-fluorophenoxy)propan-2-yl]urea is C[C@H](COc1cccc(F)c1)NC(=O)N[C@@H](c1nccs1)C1CC1.
What is the InChIKey of 1-[(R)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[(2R)-1-(3-fluorophenoxy)propan-2-yl]urea?
The InChIKey is IZRWEMXHQWLELG-IAQYHMDHSA-N. The full InChI is InChI=1S/C17H20FN3O2S/c1-11(10-23-14-4-2-3-13(18)9-14)20-17(22)21-15(12-5-6-12)16-19-7-8-24-16/h2-4,7-9,11-12,15H,5-6,10H2,1H3,(H2,20,21,22)/t11-,15-/m1/s1.
What are the key properties of 1-[(R)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[(2R)-1-(3-fluorophenoxy)propan-2-yl]urea?
1-[(R)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[(2R)-1-(3-fluorophenoxy)propan-2-yl]urea has a molecular weight of 349.43 g/mol, XLogP of 3.50, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[(2R)-1-(3-fluorophenoxy)propan-2-yl]urea is sourced from PubChem (CID 97218961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).