1-[4-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,3-thiazol-2-yl]-3-methylurea

C19H18FN3OS — CID 15676061

IUPAC1-[4-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,3-thiazol-2-yl]-3-methylurea
SMILESCNC(=O)Nc1nc(C(C)c2ccc(-c3ccccc3)c(F)c2)cs1
InChIInChI=1S/C19H18FN3OS/c1-12(17-11-25-19(22-17)23-18(24)21-2)14-8-9-15(16(20)10-14)13-6-4-3-5-7-13/h3-12H,1-2H3,(H2,21,22,23,24)
InChIKeyDMTBUMVQYLMRER-UHFFFAOYSA-N
MW355.44 g/mol
LogP4.85
Rot. Bonds4

About 1-[4-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,3-thiazol-2-yl]-3-methylurea

1-[4-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,3-thiazol-2-yl]-3-methylurea (PubChem CID 15676061) has the molecular formula C19H18FN3OS and a molecular weight of 355.44 g/mol. Its IUPAC name is 1-[4-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,3-thiazol-2-yl]-3-methylurea.

Molecular Properties

Compound Name1-[4-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,3-thiazol-2-yl]-3-methylurea
PubChem CID15676061
Molecular FormulaC19H18FN3OS
Molecular Weight355.44 g/mol
Exact Mass355.12
IUPAC Name1-[4-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,3-thiazol-2-yl]-3-methylurea
SMILESCNC(=O)Nc1nc(C(C)c2ccc(-c3ccccc3)c(F)c2)cs1
InChIInChI=1S/C19H18FN3OS/c1-12(17-11-25-19(22-17)23-18(24)21-2)14-8-9-15(16(20)10-14)13-6-4-3-5-7-13/h3-12H,1-2H3,(H2,21,22,23,24)
InChIKeyDMTBUMVQYLMRER-UHFFFAOYSA-N
XLogP4.85
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,3-thiazol-2-yl]-3-methylurea?
The IUPAC name of 1-[4-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,3-thiazol-2-yl]-3-methylurea (CID 15676061) is 1-[4-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,3-thiazol-2-yl]-3-methylurea.
What is the SMILES notation for 1-[4-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,3-thiazol-2-yl]-3-methylurea?
The canonical SMILES for 1-[4-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,3-thiazol-2-yl]-3-methylurea is CNC(=O)Nc1nc(C(C)c2ccc(-c3ccccc3)c(F)c2)cs1.
What is the InChIKey of 1-[4-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,3-thiazol-2-yl]-3-methylurea?
The InChIKey is DMTBUMVQYLMRER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3OS/c1-12(17-11-25-19(22-17)23-18(24)21-2)14-8-9-15(16(20)10-14)13-6-4-3-5-7-13/h3-12H,1-2H3,(H2,21,22,23,24).
What are the key properties of 1-[4-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,3-thiazol-2-yl]-3-methylurea?
1-[4-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,3-thiazol-2-yl]-3-methylurea has a molecular weight of 355.44 g/mol, XLogP of 4.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,3-thiazol-2-yl]-3-methylurea is sourced from PubChem (CID 15676061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).