1-(5,5-dimethyl-4H-1,3-thiazol-2-yl)-1-(2-fluorophenyl)-3-phenylurea

C18H18FN3OS — CID 2817615

IUPAC1-(5,5-dimethyl-4H-1,3-thiazol-2-yl)-1-(2-fluorophenyl)-3-phenylurea
SMILESCC1(C)CN=C(N(C(=O)Nc2ccccc2)c2ccccc2F)S1
InChIInChI=1S/C18H18FN3OS/c1-18(2)12-20-17(24-18)22(15-11-7-6-10-14(15)19)16(23)21-13-8-4-3-5-9-13/h3-11H,12H2,1-2H3,(H,21,23)
InChIKeyIHTIZRQXLNRVPB-UHFFFAOYSA-N
MW343.43 g/mol
LogP4.75
Rot. Bonds2

About 1-(5,5-dimethyl-4H-1,3-thiazol-2-yl)-1-(2-fluorophenyl)-3-phenylurea

1-(5,5-dimethyl-4H-1,3-thiazol-2-yl)-1-(2-fluorophenyl)-3-phenylurea (PubChem CID 2817615) has the molecular formula C18H18FN3OS and a molecular weight of 343.43 g/mol. Its IUPAC name is 1-(5,5-dimethyl-4H-1,3-thiazol-2-yl)-1-(2-fluorophenyl)-3-phenylurea.

Molecular Properties

Compound Name1-(5,5-dimethyl-4H-1,3-thiazol-2-yl)-1-(2-fluorophenyl)-3-phenylurea
PubChem CID2817615
Molecular FormulaC18H18FN3OS
Molecular Weight343.43 g/mol
Exact Mass343.12
IUPAC Name1-(5,5-dimethyl-4H-1,3-thiazol-2-yl)-1-(2-fluorophenyl)-3-phenylurea
SMILESCC1(C)CN=C(N(C(=O)Nc2ccccc2)c2ccccc2F)S1
InChIInChI=1S/C18H18FN3OS/c1-18(2)12-20-17(24-18)22(15-11-7-6-10-14(15)19)16(23)21-13-8-4-3-5-9-13/h3-11H,12H2,1-2H3,(H,21,23)
InChIKeyIHTIZRQXLNRVPB-UHFFFAOYSA-N
XLogP4.75
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5,5-dimethyl-4H-1,3-thiazol-2-yl)-1-(2-fluorophenyl)-3-phenylurea?
The IUPAC name of 1-(5,5-dimethyl-4H-1,3-thiazol-2-yl)-1-(2-fluorophenyl)-3-phenylurea (CID 2817615) is 1-(5,5-dimethyl-4H-1,3-thiazol-2-yl)-1-(2-fluorophenyl)-3-phenylurea.
What is the SMILES notation for 1-(5,5-dimethyl-4H-1,3-thiazol-2-yl)-1-(2-fluorophenyl)-3-phenylurea?
The canonical SMILES for 1-(5,5-dimethyl-4H-1,3-thiazol-2-yl)-1-(2-fluorophenyl)-3-phenylurea is CC1(C)CN=C(N(C(=O)Nc2ccccc2)c2ccccc2F)S1.
What is the InChIKey of 1-(5,5-dimethyl-4H-1,3-thiazol-2-yl)-1-(2-fluorophenyl)-3-phenylurea?
The InChIKey is IHTIZRQXLNRVPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3OS/c1-18(2)12-20-17(24-18)22(15-11-7-6-10-14(15)19)16(23)21-13-8-4-3-5-9-13/h3-11H,12H2,1-2H3,(H,21,23).
What are the key properties of 1-(5,5-dimethyl-4H-1,3-thiazol-2-yl)-1-(2-fluorophenyl)-3-phenylurea?
1-(5,5-dimethyl-4H-1,3-thiazol-2-yl)-1-(2-fluorophenyl)-3-phenylurea has a molecular weight of 343.43 g/mol, XLogP of 4.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,5-dimethyl-4H-1,3-thiazol-2-yl)-1-(2-fluorophenyl)-3-phenylurea is sourced from PubChem (CID 2817615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).