[3-[(5-fluoro-6-propan-2-ylpyrimidin-4-yl)-methylamino]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone

C17H22FN5OS — CID 146078521

IUPAC[3-[(5-fluoro-6-propan-2-ylpyrimidin-4-yl)-methylamino]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
SMILESCC(C)c1ncnc(N(C)C2CCCN(C(=O)c3cscn3)C2)c1F
InChIInChI=1S/C17H22FN5OS/c1-11(2)15-14(18)16(20-9-19-15)22(3)12-5-4-6-23(7-12)17(24)13-8-25-10-21-13/h8-12H,4-7H2,1-3H3
InChIKeyVDYUUASDIKBMDP-UHFFFAOYSA-N
MW363.46 g/mol
LogP2.94
Rot. Bonds4

About [3-[(5-fluoro-6-propan-2-ylpyrimidin-4-yl)-methylamino]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone

[3-[(5-fluoro-6-propan-2-ylpyrimidin-4-yl)-methylamino]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone (PubChem CID 146078521) has the molecular formula C17H22FN5OS and a molecular weight of 363.46 g/mol. Its IUPAC name is [3-[(5-fluoro-6-propan-2-ylpyrimidin-4-yl)-methylamino]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[3-[(5-fluoro-6-propan-2-ylpyrimidin-4-yl)-methylamino]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
PubChem CID146078521
Molecular FormulaC17H22FN5OS
Molecular Weight363.46 g/mol
Exact Mass363.15
IUPAC Name[3-[(5-fluoro-6-propan-2-ylpyrimidin-4-yl)-methylamino]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
SMILESCC(C)c1ncnc(N(C)C2CCCN(C(=O)c3cscn3)C2)c1F
InChIInChI=1S/C17H22FN5OS/c1-11(2)15-14(18)16(20-9-19-15)22(3)12-5-4-6-23(7-12)17(24)13-8-25-10-21-13/h8-12H,4-7H2,1-3H3
InChIKeyVDYUUASDIKBMDP-UHFFFAOYSA-N
XLogP2.94
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-[(5-fluoro-6-propan-2-ylpyrimidin-4-yl)-methylamino]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone?
The IUPAC name of [3-[(5-fluoro-6-propan-2-ylpyrimidin-4-yl)-methylamino]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone (CID 146078521) is [3-[(5-fluoro-6-propan-2-ylpyrimidin-4-yl)-methylamino]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [3-[(5-fluoro-6-propan-2-ylpyrimidin-4-yl)-methylamino]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone?
The canonical SMILES for [3-[(5-fluoro-6-propan-2-ylpyrimidin-4-yl)-methylamino]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone is CC(C)c1ncnc(N(C)C2CCCN(C(=O)c3cscn3)C2)c1F.
What is the InChIKey of [3-[(5-fluoro-6-propan-2-ylpyrimidin-4-yl)-methylamino]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone?
The InChIKey is VDYUUASDIKBMDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN5OS/c1-11(2)15-14(18)16(20-9-19-15)22(3)12-5-4-6-23(7-12)17(24)13-8-25-10-21-13/h8-12H,4-7H2,1-3H3.
What are the key properties of [3-[(5-fluoro-6-propan-2-ylpyrimidin-4-yl)-methylamino]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone?
[3-[(5-fluoro-6-propan-2-ylpyrimidin-4-yl)-methylamino]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone has a molecular weight of 363.46 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(5-fluoro-6-propan-2-ylpyrimidin-4-yl)-methylamino]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 146078521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).