1-[2-(2,2-difluoroethoxy)phenyl]-3-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]urea

C15H17F2N3O2S — CID 71849483

IUPAC1-[2-(2,2-difluoroethoxy)phenyl]-3-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]urea
SMILESCc1cnc(C(C)NC(=O)Nc2ccccc2OCC(F)F)s1
InChIInChI=1S/C15H17F2N3O2S/c1-9-7-18-14(23-9)10(2)19-15(21)20-11-5-3-4-6-12(11)22-8-13(16)17/h3-7,10,13H,8H2,1-2H3,(H2,19,20,21)
InChIKeyMIVMVUPZWXWNRM-UHFFFAOYSA-N
MW341.38 g/mol
LogP3.98
Rot. Bonds6

About 1-[2-(2,2-difluoroethoxy)phenyl]-3-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]urea

1-[2-(2,2-difluoroethoxy)phenyl]-3-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]urea (PubChem CID 71849483) has the molecular formula C15H17F2N3O2S and a molecular weight of 341.38 g/mol. Its IUPAC name is 1-[2-(2,2-difluoroethoxy)phenyl]-3-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-[2-(2,2-difluoroethoxy)phenyl]-3-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]urea
PubChem CID71849483
Molecular FormulaC15H17F2N3O2S
Molecular Weight341.38 g/mol
Exact Mass341.10
IUPAC Name1-[2-(2,2-difluoroethoxy)phenyl]-3-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]urea
SMILESCc1cnc(C(C)NC(=O)Nc2ccccc2OCC(F)F)s1
InChIInChI=1S/C15H17F2N3O2S/c1-9-7-18-14(23-9)10(2)19-15(21)20-11-5-3-4-6-12(11)22-8-13(16)17/h3-7,10,13H,8H2,1-2H3,(H2,19,20,21)
InChIKeyMIVMVUPZWXWNRM-UHFFFAOYSA-N
XLogP3.98
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.38
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-{2-[(2-chloro-1,3-thiazol-5-yl)methoxy]phenyl}acetamide
CID 1490230
2-[4-(2-Ethoxy-phenyl)-piperazin-1-yl]-N-(5-methyl-thiazol-2-yl)-acetamide
CID 1443637
2-Thiazolecarboxamide, 5-butyl-N-(4-(2-(methoxyphenyl)-1-piperazinyl)ethyl)-, hydrochloride
CID 3045138
2-Thiazolecarboxamide, 5-butyl-N-(4-(4-(2-methoxyphenyl)-1-piperazinyl)butyl)-, dihydrochloride
CID 3045142
1-[2-(2-Fluorophenoxy)propyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
CID 71990395
(2S)-N-(2-methoxyphenyl)-2-(5-phenyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide
CID 168285843
2-(2,2-difluoroethoxy)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 71849577
1-(3-chloro-2-methoxyphenyl)-3-[(1S)-1-(1,3-thiazol-2-yl)propyl]urea
CID 97566390
3-(2-fluoroethoxy)-N-[(1S)-1-(2-methyl-1,3-thiazol-5-yl)ethyl]aniline
CID 99781820
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-N'-{2-[(1-methylpiperidin-4-yl)oxy]phenyl}urea
CID 118774586
3-[2-(2,2-Difluoroethoxy)-3-pyridinyl]-1-ethyl-1-[2-(1,3-thiazol-2-yl)ethyl]urea
CID 126773247
N-(2-ethoxyphenyl)-3-oxo-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 134161271

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,2-difluoroethoxy)phenyl]-3-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]urea?
The IUPAC name of 1-[2-(2,2-difluoroethoxy)phenyl]-3-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]urea (CID 71849483) is 1-[2-(2,2-difluoroethoxy)phenyl]-3-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]urea.
What is the SMILES notation for 1-[2-(2,2-difluoroethoxy)phenyl]-3-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]urea?
The canonical SMILES for 1-[2-(2,2-difluoroethoxy)phenyl]-3-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]urea is Cc1cnc(C(C)NC(=O)Nc2ccccc2OCC(F)F)s1.
What is the InChIKey of 1-[2-(2,2-difluoroethoxy)phenyl]-3-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]urea?
The InChIKey is MIVMVUPZWXWNRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N3O2S/c1-9-7-18-14(23-9)10(2)19-15(21)20-11-5-3-4-6-12(11)22-8-13(16)17/h3-7,10,13H,8H2,1-2H3,(H2,19,20,21).
What are the key properties of 1-[2-(2,2-difluoroethoxy)phenyl]-3-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]urea?
1-[2-(2,2-difluoroethoxy)phenyl]-3-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]urea has a molecular weight of 341.38 g/mol, XLogP of 3.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,2-difluoroethoxy)phenyl]-3-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]urea is sourced from PubChem (CID 71849483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).