1-(2,4-difluorophenyl)-3-methyl-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)urea

C12H13F2N3OS — CID 2970179

IUPAC1-(2,4-difluorophenyl)-3-methyl-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)urea
SMILESCNC(=O)N(C1=NCC(C)S1)c1ccc(F)cc1F
InChIInChI=1S/C12H13F2N3OS/c1-7-6-16-12(19-7)17(11(18)15-2)10-4-3-8(13)5-9(10)14/h3-5,7H,6H2,1-2H3,(H,15,18)
InChIKeyXTGZNBRRAXXHQQ-UHFFFAOYSA-N
MW285.32 g/mol
LogP2.60
Rot. Bonds1

About 1-(2,4-difluorophenyl)-3-methyl-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)urea

1-(2,4-difluorophenyl)-3-methyl-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)urea (PubChem CID 2970179) has the molecular formula C12H13F2N3OS and a molecular weight of 285.32 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-methyl-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-methyl-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)urea
PubChem CID2970179
Molecular FormulaC12H13F2N3OS
Molecular Weight285.32 g/mol
Exact Mass285.07
IUPAC Name1-(2,4-difluorophenyl)-3-methyl-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)urea
SMILESCNC(=O)N(C1=NCC(C)S1)c1ccc(F)cc1F
InChIInChI=1S/C12H13F2N3OS/c1-7-6-16-12(19-7)17(11(18)15-2)10-4-3-8(13)5-9(10)14/h3-5,7H,6H2,1-2H3,(H,15,18)
InChIKeyXTGZNBRRAXXHQQ-UHFFFAOYSA-N
XLogP2.60
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-methyl-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)urea?
The IUPAC name of 1-(2,4-difluorophenyl)-3-methyl-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)urea (CID 2970179) is 1-(2,4-difluorophenyl)-3-methyl-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-methyl-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-methyl-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)urea is CNC(=O)N(C1=NCC(C)S1)c1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-methyl-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)urea?
The InChIKey is XTGZNBRRAXXHQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2N3OS/c1-7-6-16-12(19-7)17(11(18)15-2)10-4-3-8(13)5-9(10)14/h3-5,7H,6H2,1-2H3,(H,15,18).
What are the key properties of 1-(2,4-difluorophenyl)-3-methyl-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)urea?
1-(2,4-difluorophenyl)-3-methyl-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)urea has a molecular weight of 285.32 g/mol, XLogP of 2.60, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3-methyl-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)urea is sourced from PubChem (CID 2970179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).