1-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-[(1R)-1-(3-fluorophenyl)ethyl]urea

C16H20FN3OS — CID 94651497

IUPAC1-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-[(1R)-1-(3-fluorophenyl)ethyl]urea
SMILESCc1nc(C)c([C@@H](C)NC(=O)N[C@H](C)c2cccc(F)c2)s1
InChIInChI=1S/C16H20FN3OS/c1-9(13-6-5-7-14(17)8-13)19-16(21)20-11(3)15-10(2)18-12(4)22-15/h5-9,11H,1-4H3,(H2,19,20,21)/t9-,11-/m1/s1
InChIKeyWXZCVSXJPQLUOQ-MWLCHTKSSA-N
MW321.42 g/mol
LogP4.02
Rot. Bonds4

About 1-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-[(1R)-1-(3-fluorophenyl)ethyl]urea

1-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-[(1R)-1-(3-fluorophenyl)ethyl]urea (PubChem CID 94651497) has the molecular formula C16H20FN3OS and a molecular weight of 321.42 g/mol. Its IUPAC name is 1-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-[(1R)-1-(3-fluorophenyl)ethyl]urea.

Molecular Properties

Compound Name1-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-[(1R)-1-(3-fluorophenyl)ethyl]urea
PubChem CID94651497
Molecular FormulaC16H20FN3OS
Molecular Weight321.42 g/mol
Exact Mass321.13
IUPAC Name1-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-[(1R)-1-(3-fluorophenyl)ethyl]urea
SMILESCc1nc(C)c([C@@H](C)NC(=O)N[C@H](C)c2cccc(F)c2)s1
InChIInChI=1S/C16H20FN3OS/c1-9(13-6-5-7-14(17)8-13)19-16(21)20-11(3)15-10(2)18-12(4)22-15/h5-9,11H,1-4H3,(H2,19,20,21)/t9-,11-/m1/s1
InChIKeyWXZCVSXJPQLUOQ-MWLCHTKSSA-N
XLogP4.02
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-[(1R)-1-(3-fluorophenyl)ethyl]urea with MolForge

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Related Compounds

1-[1-(3-fluorophenyl)ethyl]-3-propan-2-ylurea
CID 47015065
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CID 78972642
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-fluorobenzamide
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N-[(1R)-1-(3-fluorophenyl)ethyl]acetamide
CID 81366934
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-fluoro-5-methylbenzamide
CID 62512190
1-amino-N-[(1R)-1-(3-fluorophenyl)ethyl]cyclopropane-1-carboxamide
CID 81366451
N'-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-(3-methylphenyl)oxamide
CID 71888750
1-[(1S)-1-(3-fluorophenyl)ethyl]-3-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 94251748
(2R)-2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylcarbamoylamino]-3-hydroxypropanoic acid
CID 80757573
(1S)-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-(3-fluorophenyl)ethanamine
CID 81365478
1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-(2,2,2-trifluoroethyl)urea
CID 47329251
(2R)-2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylcarbamoylamino]-3,3-dimethylbutanoic acid
CID 103927798

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-[(1R)-1-(3-fluorophenyl)ethyl]urea?
The IUPAC name of 1-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-[(1R)-1-(3-fluorophenyl)ethyl]urea (CID 94651497) is 1-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-[(1R)-1-(3-fluorophenyl)ethyl]urea.
What is the SMILES notation for 1-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-[(1R)-1-(3-fluorophenyl)ethyl]urea?
The canonical SMILES for 1-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-[(1R)-1-(3-fluorophenyl)ethyl]urea is Cc1nc(C)c([C@@H](C)NC(=O)N[C@H](C)c2cccc(F)c2)s1.
What is the InChIKey of 1-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-[(1R)-1-(3-fluorophenyl)ethyl]urea?
The InChIKey is WXZCVSXJPQLUOQ-MWLCHTKSSA-N. The full InChI is InChI=1S/C16H20FN3OS/c1-9(13-6-5-7-14(17)8-13)19-16(21)20-11(3)15-10(2)18-12(4)22-15/h5-9,11H,1-4H3,(H2,19,20,21)/t9-,11-/m1/s1.
What are the key properties of 1-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-[(1R)-1-(3-fluorophenyl)ethyl]urea?
1-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-[(1R)-1-(3-fluorophenyl)ethyl]urea has a molecular weight of 321.42 g/mol, XLogP of 4.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-[(1R)-1-(3-fluorophenyl)ethyl]urea is sourced from PubChem (CID 94651497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).