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

C16H13FN4OS — CID 87405236

IUPAC1-[(2-fluorophenyl)methyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea
SMILESO=C(NCc1ccccc1F)Nc1nc(-c2ccncc2)cs1
InChIInChI=1S/C16H13FN4OS/c17-13-4-2-1-3-12(13)9-19-15(22)21-16-20-14(10-23-16)11-5-7-18-8-6-11/h1-8,10H,9H2,(H2,19,20,21,22)
InChIKeyWAJISDOQPUVLIR-UHFFFAOYSA-N
MW328.37 g/mol
LogP3.67
Rot. Bonds4

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

1-[(2-fluorophenyl)methyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea (PubChem CID 87405236) has the molecular formula C16H13FN4OS and a molecular weight of 328.37 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea
PubChem CID87405236
Molecular FormulaC16H13FN4OS
Molecular Weight328.37 g/mol
Exact Mass328.08
IUPAC Name1-[(2-fluorophenyl)methyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea
SMILESO=C(NCc1ccccc1F)Nc1nc(-c2ccncc2)cs1
InChIInChI=1S/C16H13FN4OS/c17-13-4-2-1-3-12(13)9-19-15(22)21-16-20-14(10-23-16)11-5-7-18-8-6-11/h1-8,10H,9H2,(H2,19,20,21,22)
InChIKeyWAJISDOQPUVLIR-UHFFFAOYSA-N
XLogP3.67
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Stf-62247
CID 704473
3-Pyridinecarboxamide, N-(4-phenyl-2-thiazolyl)-
CID 203433
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
4-(Pyridin-4-yl)-1,3-thiazol-2-amine
CID 930237
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-(4-Pyridin-2-yl-thiazol-2-yl)-benzamide
CID 4119262
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

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea (CID 87405236) is 1-[(2-fluorophenyl)methyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea is O=C(NCc1ccccc1F)Nc1nc(-c2ccncc2)cs1.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea?
The InChIKey is WAJISDOQPUVLIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN4OS/c17-13-4-2-1-3-12(13)9-19-15(22)21-16-20-14(10-23-16)11-5-7-18-8-6-11/h1-8,10H,9H2,(H2,19,20,21,22).
What are the key properties of 1-[(2-fluorophenyl)methyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea?
1-[(2-fluorophenyl)methyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea has a molecular weight of 328.37 g/mol, XLogP of 3.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea is sourced from PubChem (CID 87405236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).