1-[2-[1-(2-fluoroethyl)imidazol-4-yl]ethyl]-3-(4-methyl-5-phenyl-1,3-thiazol-2-yl)urea

C18H20FN5OS — CID 141180074

IUPAC1-[2-[1-(2-fluoroethyl)imidazol-4-yl]ethyl]-3-(4-methyl-5-phenyl-1,3-thiazol-2-yl)urea
SMILESCc1nc(NC(=O)NCCc2cn(CCF)cn2)sc1-c1ccccc1
InChIInChI=1S/C18H20FN5OS/c1-13-16(14-5-3-2-4-6-14)26-18(22-13)23-17(25)20-9-7-15-11-24(10-8-19)12-21-15/h2-6,11-12H,7-10H2,1H3,(H2,20,22,23,25)
InChIKeyUCRDXQYRZMTAGG-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.65
Rot. Bonds7

About 1-[2-[1-(2-fluoroethyl)imidazol-4-yl]ethyl]-3-(4-methyl-5-phenyl-1,3-thiazol-2-yl)urea

1-[2-[1-(2-fluoroethyl)imidazol-4-yl]ethyl]-3-(4-methyl-5-phenyl-1,3-thiazol-2-yl)urea (PubChem CID 141180074) has the molecular formula C18H20FN5OS and a molecular weight of 373.46 g/mol. Its IUPAC name is 1-[2-[1-(2-fluoroethyl)imidazol-4-yl]ethyl]-3-(4-methyl-5-phenyl-1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-[2-[1-(2-fluoroethyl)imidazol-4-yl]ethyl]-3-(4-methyl-5-phenyl-1,3-thiazol-2-yl)urea
PubChem CID141180074
Molecular FormulaC18H20FN5OS
Molecular Weight373.46 g/mol
Exact Mass373.14
IUPAC Name1-[2-[1-(2-fluoroethyl)imidazol-4-yl]ethyl]-3-(4-methyl-5-phenyl-1,3-thiazol-2-yl)urea
SMILESCc1nc(NC(=O)NCCc2cn(CCF)cn2)sc1-c1ccccc1
InChIInChI=1S/C18H20FN5OS/c1-13-16(14-5-3-2-4-6-14)26-18(22-13)23-17(25)20-9-7-15-11-24(10-8-19)12-21-15/h2-6,11-12H,7-10H2,1H3,(H2,20,22,23,25)
InChIKeyUCRDXQYRZMTAGG-UHFFFAOYSA-N
XLogP3.65
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(2-fluoroethyl)imidazol-4-yl]ethyl]-3-(4-methyl-5-phenyl-1,3-thiazol-2-yl)urea?
The IUPAC name of 1-[2-[1-(2-fluoroethyl)imidazol-4-yl]ethyl]-3-(4-methyl-5-phenyl-1,3-thiazol-2-yl)urea (CID 141180074) is 1-[2-[1-(2-fluoroethyl)imidazol-4-yl]ethyl]-3-(4-methyl-5-phenyl-1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-[2-[1-(2-fluoroethyl)imidazol-4-yl]ethyl]-3-(4-methyl-5-phenyl-1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-[2-[1-(2-fluoroethyl)imidazol-4-yl]ethyl]-3-(4-methyl-5-phenyl-1,3-thiazol-2-yl)urea is Cc1nc(NC(=O)NCCc2cn(CCF)cn2)sc1-c1ccccc1.
What is the InChIKey of 1-[2-[1-(2-fluoroethyl)imidazol-4-yl]ethyl]-3-(4-methyl-5-phenyl-1,3-thiazol-2-yl)urea?
The InChIKey is UCRDXQYRZMTAGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN5OS/c1-13-16(14-5-3-2-4-6-14)26-18(22-13)23-17(25)20-9-7-15-11-24(10-8-19)12-21-15/h2-6,11-12H,7-10H2,1H3,(H2,20,22,23,25).
What are the key properties of 1-[2-[1-(2-fluoroethyl)imidazol-4-yl]ethyl]-3-(4-methyl-5-phenyl-1,3-thiazol-2-yl)urea?
1-[2-[1-(2-fluoroethyl)imidazol-4-yl]ethyl]-3-(4-methyl-5-phenyl-1,3-thiazol-2-yl)urea has a molecular weight of 373.46 g/mol, XLogP of 3.65, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(2-fluoroethyl)imidazol-4-yl]ethyl]-3-(4-methyl-5-phenyl-1,3-thiazol-2-yl)urea is sourced from PubChem (CID 141180074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).