1-(3-fluoro-2-pyridinyl)-3-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)propyl]urea

C13H15FN4OS — CID 99840415

IUPAC1-(3-fluoro-2-pyridinyl)-3-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)propyl]urea
SMILESCc1csc([C@H](C)CNC(=O)Nc2ncccc2F)n1
InChIInChI=1S/C13H15FN4OS/c1-8(12-17-9(2)7-20-12)6-16-13(19)18-11-10(14)4-3-5-15-11/h3-5,7-8H,6H2,1-2H3,(H2,15,16,18,19)/t8-/m1/s1
InChIKeyJHIPDAHWJFXMSA-MRVPVSSYSA-N
MW294.35 g/mol
LogP2.91
Rot. Bonds4

About 1-(3-fluoro-2-pyridinyl)-3-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)propyl]urea

1-(3-fluoro-2-pyridinyl)-3-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)propyl]urea (PubChem CID 99840415) has the molecular formula C13H15FN4OS and a molecular weight of 294.35 g/mol. Its IUPAC name is 1-(3-fluoro-2-pyridinyl)-3-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)propyl]urea.

Molecular Properties

Compound Name1-(3-fluoro-2-pyridinyl)-3-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)propyl]urea
PubChem CID99840415
Molecular FormulaC13H15FN4OS
Molecular Weight294.35 g/mol
Exact Mass294.10
IUPAC Name1-(3-fluoro-2-pyridinyl)-3-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)propyl]urea
SMILESCc1csc([C@H](C)CNC(=O)Nc2ncccc2F)n1
InChIInChI=1S/C13H15FN4OS/c1-8(12-17-9(2)7-20-12)6-16-13(19)18-11-10(14)4-3-5-15-11/h3-5,7-8H,6H2,1-2H3,(H2,15,16,18,19)/t8-/m1/s1
InChIKeyJHIPDAHWJFXMSA-MRVPVSSYSA-N
XLogP2.91
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-2-pyridinyl)-3-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)propyl]urea?
The IUPAC name of 1-(3-fluoro-2-pyridinyl)-3-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)propyl]urea (CID 99840415) is 1-(3-fluoro-2-pyridinyl)-3-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)propyl]urea.
What is the SMILES notation for 1-(3-fluoro-2-pyridinyl)-3-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)propyl]urea?
The canonical SMILES for 1-(3-fluoro-2-pyridinyl)-3-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)propyl]urea is Cc1csc([C@H](C)CNC(=O)Nc2ncccc2F)n1.
What is the InChIKey of 1-(3-fluoro-2-pyridinyl)-3-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)propyl]urea?
The InChIKey is JHIPDAHWJFXMSA-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H15FN4OS/c1-8(12-17-9(2)7-20-12)6-16-13(19)18-11-10(14)4-3-5-15-11/h3-5,7-8H,6H2,1-2H3,(H2,15,16,18,19)/t8-/m1/s1.
What are the key properties of 1-(3-fluoro-2-pyridinyl)-3-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)propyl]urea?
1-(3-fluoro-2-pyridinyl)-3-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)propyl]urea has a molecular weight of 294.35 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-2-pyridinyl)-3-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)propyl]urea is sourced from PubChem (CID 99840415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).