1-(5-fluoro-1,3-thiazol-2-yl)-3-[(3R)-1-propan-2-ylpiperidin-3-yl]urea

C12H19FN4OS — CID 88577504

IUPAC1-(5-fluoro-1,3-thiazol-2-yl)-3-[(3R)-1-propan-2-ylpiperidin-3-yl]urea
SMILESCC(C)N1CCC[C@@H](NC(=O)Nc2ncc(F)s2)C1
InChIInChI=1S/C12H19FN4OS/c1-8(2)17-5-3-4-9(7-17)15-11(18)16-12-14-6-10(13)19-12/h6,8-9H,3-5,7H2,1-2H3,(H2,14,15,16,18)/t9-/m1/s1
InChIKeyPXLMXARUYRMTQM-SECBINFHSA-N
MW286.38 g/mol
LogP2.28
Rot. Bonds3

About 1-(5-fluoro-1,3-thiazol-2-yl)-3-[(3R)-1-propan-2-ylpiperidin-3-yl]urea

1-(5-fluoro-1,3-thiazol-2-yl)-3-[(3R)-1-propan-2-ylpiperidin-3-yl]urea (PubChem CID 88577504) has the molecular formula C12H19FN4OS and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-(5-fluoro-1,3-thiazol-2-yl)-3-[(3R)-1-propan-2-ylpiperidin-3-yl]urea.

Molecular Properties

Compound Name1-(5-fluoro-1,3-thiazol-2-yl)-3-[(3R)-1-propan-2-ylpiperidin-3-yl]urea
PubChem CID88577504
Molecular FormulaC12H19FN4OS
Molecular Weight286.38 g/mol
Exact Mass286.13
IUPAC Name1-(5-fluoro-1,3-thiazol-2-yl)-3-[(3R)-1-propan-2-ylpiperidin-3-yl]urea
SMILESCC(C)N1CCC[C@@H](NC(=O)Nc2ncc(F)s2)C1
InChIInChI=1S/C12H19FN4OS/c1-8(2)17-5-3-4-9(7-17)15-11(18)16-12-14-6-10(13)19-12/h6,8-9H,3-5,7H2,1-2H3,(H2,14,15,16,18)/t9-/m1/s1
InChIKeyPXLMXARUYRMTQM-SECBINFHSA-N
XLogP2.28
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-1,3-thiazol-2-yl)-3-[(3R)-1-propan-2-ylpiperidin-3-yl]urea?
The IUPAC name of 1-(5-fluoro-1,3-thiazol-2-yl)-3-[(3R)-1-propan-2-ylpiperidin-3-yl]urea (CID 88577504) is 1-(5-fluoro-1,3-thiazol-2-yl)-3-[(3R)-1-propan-2-ylpiperidin-3-yl]urea.
What is the SMILES notation for 1-(5-fluoro-1,3-thiazol-2-yl)-3-[(3R)-1-propan-2-ylpiperidin-3-yl]urea?
The canonical SMILES for 1-(5-fluoro-1,3-thiazol-2-yl)-3-[(3R)-1-propan-2-ylpiperidin-3-yl]urea is CC(C)N1CCC[C@@H](NC(=O)Nc2ncc(F)s2)C1.
What is the InChIKey of 1-(5-fluoro-1,3-thiazol-2-yl)-3-[(3R)-1-propan-2-ylpiperidin-3-yl]urea?
The InChIKey is PXLMXARUYRMTQM-SECBINFHSA-N. The full InChI is InChI=1S/C12H19FN4OS/c1-8(2)17-5-3-4-9(7-17)15-11(18)16-12-14-6-10(13)19-12/h6,8-9H,3-5,7H2,1-2H3,(H2,14,15,16,18)/t9-/m1/s1.
What are the key properties of 1-(5-fluoro-1,3-thiazol-2-yl)-3-[(3R)-1-propan-2-ylpiperidin-3-yl]urea?
1-(5-fluoro-1,3-thiazol-2-yl)-3-[(3R)-1-propan-2-ylpiperidin-3-yl]urea has a molecular weight of 286.38 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-1,3-thiazol-2-yl)-3-[(3R)-1-propan-2-ylpiperidin-3-yl]urea is sourced from PubChem (CID 88577504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).