1-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea

C14H15F2N3O2S — CID 53498422

IUPAC1-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
SMILESCc1nc(CNC(=O)NCC(O)c2ccc(F)cc2F)cs1
InChIInChI=1S/C14H15F2N3O2S/c1-8-19-10(7-22-8)5-17-14(21)18-6-13(20)11-3-2-9(15)4-12(11)16/h2-4,7,13,20H,5-6H2,1H3,(H2,17,18,21)
InChIKeyAMAHIEYZGVCZPB-UHFFFAOYSA-N
MW327.36 g/mol
LogP2.26
Rot. Bonds5

About 1-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea

1-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea (PubChem CID 53498422) has the molecular formula C14H15F2N3O2S and a molecular weight of 327.36 g/mol. Its IUPAC name is 1-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea.

Molecular Properties

Compound Name1-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
PubChem CID53498422
Molecular FormulaC14H15F2N3O2S
Molecular Weight327.36 g/mol
Exact Mass327.09
IUPAC Name1-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
SMILESCc1nc(CNC(=O)NCC(O)c2ccc(F)cc2F)cs1
InChIInChI=1S/C14H15F2N3O2S/c1-8-19-10(7-22-8)5-17-14(21)18-6-13(20)11-3-2-9(15)4-12(11)16/h2-4,7,13,20H,5-6H2,1H3,(H2,17,18,21)
InChIKeyAMAHIEYZGVCZPB-UHFFFAOYSA-N
XLogP2.26
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea?
The IUPAC name of 1-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea (CID 53498422) is 1-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea.
What is the SMILES notation for 1-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea?
The canonical SMILES for 1-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea is Cc1nc(CNC(=O)NCC(O)c2ccc(F)cc2F)cs1.
What is the InChIKey of 1-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea?
The InChIKey is AMAHIEYZGVCZPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3O2S/c1-8-19-10(7-22-8)5-17-14(21)18-6-13(20)11-3-2-9(15)4-12(11)16/h2-4,7,13,20H,5-6H2,1H3,(H2,17,18,21).
What are the key properties of 1-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea?
1-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea has a molecular weight of 327.36 g/mol, XLogP of 2.26, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea is sourced from PubChem (CID 53498422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).