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

C17H15FN4OS — CID 89421099

IUPAC1-[(1R)-1-(3-fluorophenyl)ethyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea
SMILESC[C@@H](NC(=O)Nc1nc(-c2ccncc2)cs1)c1cccc(F)c1
InChIInChI=1S/C17H15FN4OS/c1-11(13-3-2-4-14(18)9-13)20-16(23)22-17-21-15(10-24-17)12-5-7-19-8-6-12/h2-11H,1H3,(H2,20,21,22,23)/t11-/m1/s1
InChIKeyBZMYCBISXGQOME-LLVKDONJSA-N
MW342.40 g/mol
LogP4.23
Rot. Bonds4

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

1-[(1R)-1-(3-fluorophenyl)ethyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea (PubChem CID 89421099) has the molecular formula C17H15FN4OS and a molecular weight of 342.40 g/mol. Its IUPAC name is 1-[(1R)-1-(3-fluorophenyl)ethyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-[(1R)-1-(3-fluorophenyl)ethyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea
PubChem CID89421099
Molecular FormulaC17H15FN4OS
Molecular Weight342.40 g/mol
Exact Mass342.10
IUPAC Name1-[(1R)-1-(3-fluorophenyl)ethyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea
SMILESC[C@@H](NC(=O)Nc1nc(-c2ccncc2)cs1)c1cccc(F)c1
InChIInChI=1S/C17H15FN4OS/c1-11(13-3-2-4-14(18)9-13)20-16(23)22-17-21-15(10-24-17)12-5-7-19-8-6-12/h2-11H,1H3,(H2,20,21,22,23)/t11-/m1/s1
InChIKeyBZMYCBISXGQOME-LLVKDONJSA-N
XLogP4.23
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

Stf-62247
CID 704473
N-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide
CID 790259
(4-Phenyl-thiazol-2-yl)-pyridin-2-yl-amine
CID 750531
Acetamide, N-[4-[2-(2-pyridinylamino)-4-thiazolyl]phenyl]-
CID 973066
N-(2-ethylphenyl)-4-(pyridin-3-yl)-1,3-thiazol-2-amine
CID 746667
(3-Methyl-pyridin-2-yl)-(4-pyridin-2-yl-thiazol-2-yl)-amine
CID 972880
N-(6-methylpyridin-2-yl)-5-phenyl-1,3-thiazol-2-amine
CID 5329394
7-Fluoro-3-[2-(pyridin-4-yl)-1,3-thiazol-4-yl]-1,2,3,4-tetrahydroquinazolin-2-one
CID 9996476
6-Fluoro-3-[2-(pyridin-4-yl)-1,3-thiazol-4-yl]-1,2,3,4-tetrahydroquinazolin-2-one
CID 10359005
5-Fluoro-3-[2-(pyridin-4-yl)-1,3-thiazol-4-yl]-1,2,3,4-tetrahydroquinazolin-2-one
CID 10381720
3-[4-(Pyridin-4-yl)-1,3-thiazol-2-yl]-1,2,3,4-tetrahydroquinazolin-2-one
CID 10403012
3-[4-(Pyridin-3-yl)-1,3-thiazol-2-yl]-1,2,3,4-tetrahydroquinazolin-2-one
CID 10425386

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(3-fluorophenyl)ethyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea?
The IUPAC name of 1-[(1R)-1-(3-fluorophenyl)ethyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea (CID 89421099) is 1-[(1R)-1-(3-fluorophenyl)ethyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-[(1R)-1-(3-fluorophenyl)ethyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-[(1R)-1-(3-fluorophenyl)ethyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea is C[C@@H](NC(=O)Nc1nc(-c2ccncc2)cs1)c1cccc(F)c1.
What is the InChIKey of 1-[(1R)-1-(3-fluorophenyl)ethyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea?
The InChIKey is BZMYCBISXGQOME-LLVKDONJSA-N. The full InChI is InChI=1S/C17H15FN4OS/c1-11(13-3-2-4-14(18)9-13)20-16(23)22-17-21-15(10-24-17)12-5-7-19-8-6-12/h2-11H,1H3,(H2,20,21,22,23)/t11-/m1/s1.
What are the key properties of 1-[(1R)-1-(3-fluorophenyl)ethyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea?
1-[(1R)-1-(3-fluorophenyl)ethyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea has a molecular weight of 342.40 g/mol, XLogP of 4.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(3-fluorophenyl)ethyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea is sourced from PubChem (CID 89421099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).