[2-[4-fluoro-3-[methyl(1,3-thiazol-2-ylcarbamoyl)amino]piperidin-1-yl]pyrimidin-4-yl]carbamic acid

C15H18FN7O3S — CID 178147170

IUPAC[2-[4-fluoro-3-[methyl(1,3-thiazol-2-ylcarbamoyl)amino]piperidin-1-yl]pyrimidin-4-yl]carbamic acid
SMILESCN(C(=O)Nc1nccs1)C1CN(c2nccc(NC(=O)O)n2)CCC1F
InChIInChI=1S/C15H18FN7O3S/c1-22(14(24)21-13-18-5-7-27-13)10-8-23(6-3-9(10)16)12-17-4-2-11(19-12)20-15(25)26/h2,4-5,7,9-10H,3,6,8H2,1H3,(H,25,26)(H,17,19,20)(H,18,21,24)
InChIKeyAPBVKZMOUHKQLW-UHFFFAOYSA-N
MW395.42 g/mol
LogP2.10
Rot. Bonds4

About [2-[4-fluoro-3-[methyl(1,3-thiazol-2-ylcarbamoyl)amino]piperidin-1-yl]pyrimidin-4-yl]carbamic acid

[2-[4-fluoro-3-[methyl(1,3-thiazol-2-ylcarbamoyl)amino]piperidin-1-yl]pyrimidin-4-yl]carbamic acid (PubChem CID 178147170) has the molecular formula C15H18FN7O3S and a molecular weight of 395.42 g/mol. Its IUPAC name is [2-[4-fluoro-3-[methyl(1,3-thiazol-2-ylcarbamoyl)amino]piperidin-1-yl]pyrimidin-4-yl]carbamic acid.

Molecular Properties

Compound Name[2-[4-fluoro-3-[methyl(1,3-thiazol-2-ylcarbamoyl)amino]piperidin-1-yl]pyrimidin-4-yl]carbamic acid
PubChem CID178147170
Molecular FormulaC15H18FN7O3S
Molecular Weight395.42 g/mol
Exact Mass395.12
IUPAC Name[2-[4-fluoro-3-[methyl(1,3-thiazol-2-ylcarbamoyl)amino]piperidin-1-yl]pyrimidin-4-yl]carbamic acid
SMILESCN(C(=O)Nc1nccs1)C1CN(c2nccc(NC(=O)O)n2)CCC1F
InChIInChI=1S/C15H18FN7O3S/c1-22(14(24)21-13-18-5-7-27-13)10-8-23(6-3-9(10)16)12-17-4-2-11(19-12)20-15(25)26/h2,4-5,7,9-10H,3,6,8H2,1H3,(H,25,26)(H,17,19,20)(H,18,21,24)
InChIKeyAPBVKZMOUHKQLW-UHFFFAOYSA-N
XLogP2.10
TPSA123.58 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-[4-fluoro-3-[methyl(1,3-thiazol-2-ylcarbamoyl)amino]piperidin-1-yl]pyrimidin-4-yl]carbamic acid?
The IUPAC name of [2-[4-fluoro-3-[methyl(1,3-thiazol-2-ylcarbamoyl)amino]piperidin-1-yl]pyrimidin-4-yl]carbamic acid (CID 178147170) is [2-[4-fluoro-3-[methyl(1,3-thiazol-2-ylcarbamoyl)amino]piperidin-1-yl]pyrimidin-4-yl]carbamic acid.
What is the SMILES notation for [2-[4-fluoro-3-[methyl(1,3-thiazol-2-ylcarbamoyl)amino]piperidin-1-yl]pyrimidin-4-yl]carbamic acid?
The canonical SMILES for [2-[4-fluoro-3-[methyl(1,3-thiazol-2-ylcarbamoyl)amino]piperidin-1-yl]pyrimidin-4-yl]carbamic acid is CN(C(=O)Nc1nccs1)C1CN(c2nccc(NC(=O)O)n2)CCC1F.
What is the InChIKey of [2-[4-fluoro-3-[methyl(1,3-thiazol-2-ylcarbamoyl)amino]piperidin-1-yl]pyrimidin-4-yl]carbamic acid?
The InChIKey is APBVKZMOUHKQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN7O3S/c1-22(14(24)21-13-18-5-7-27-13)10-8-23(6-3-9(10)16)12-17-4-2-11(19-12)20-15(25)26/h2,4-5,7,9-10H,3,6,8H2,1H3,(H,25,26)(H,17,19,20)(H,18,21,24).
What are the key properties of [2-[4-fluoro-3-[methyl(1,3-thiazol-2-ylcarbamoyl)amino]piperidin-1-yl]pyrimidin-4-yl]carbamic acid?
[2-[4-fluoro-3-[methyl(1,3-thiazol-2-ylcarbamoyl)amino]piperidin-1-yl]pyrimidin-4-yl]carbamic acid has a molecular weight of 395.42 g/mol, XLogP of 2.10, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-fluoro-3-[methyl(1,3-thiazol-2-ylcarbamoyl)amino]piperidin-1-yl]pyrimidin-4-yl]carbamic acid is sourced from PubChem (CID 178147170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).