N-[1-[6-[(5-cyano-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]piperidin-4-yl]-2,2,2-trifluoro-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide

C20H23F3N8O2S — CID 59913209

IUPACN-[1-[6-[(5-cyano-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]piperidin-4-yl]-2,2,2-trifluoro-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
SMILESCC(C)NC(=O)CN(C(=O)C(F)(F)F)C1CCN(c2cc(Nc3ncc(C#N)s3)ncn2)CC1
InChIInChI=1S/C20H23F3N8O2S/c1-12(2)28-17(32)10-31(18(33)20(21,22)23)13-3-5-30(6-4-13)16-7-15(26-11-27-16)29-19-25-9-14(8-24)34-19/h7,9,11-13H,3-6,10H2,1-2H3,(H,28,32)(H,25,26,27,29)
InChIKeyVZWOABJXZYQEPP-UHFFFAOYSA-N
MW496.52 g/mol
LogP2.43
Rot. Bonds7

About N-[1-[6-[(5-cyano-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]piperidin-4-yl]-2,2,2-trifluoro-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide

N-[1-[6-[(5-cyano-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]piperidin-4-yl]-2,2,2-trifluoro-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide (PubChem CID 59913209) has the molecular formula C20H23F3N8O2S and a molecular weight of 496.52 g/mol. Its IUPAC name is N-[1-[6-[(5-cyano-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]piperidin-4-yl]-2,2,2-trifluoro-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide.

Molecular Properties

Compound NameN-[1-[6-[(5-cyano-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]piperidin-4-yl]-2,2,2-trifluoro-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
PubChem CID59913209
Molecular FormulaC20H23F3N8O2S
Molecular Weight496.52 g/mol
Exact Mass496.16
IUPAC NameN-[1-[6-[(5-cyano-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]piperidin-4-yl]-2,2,2-trifluoro-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
SMILESCC(C)NC(=O)CN(C(=O)C(F)(F)F)C1CCN(c2cc(Nc3ncc(C#N)s3)ncn2)CC1
InChIInChI=1S/C20H23F3N8O2S/c1-12(2)28-17(32)10-31(18(33)20(21,22)23)13-3-5-30(6-4-13)16-7-15(26-11-27-16)29-19-25-9-14(8-24)34-19/h7,9,11-13H,3-6,10H2,1-2H3,(H,28,32)(H,25,26,27,29)
InChIKeyVZWOABJXZYQEPP-UHFFFAOYSA-N
XLogP2.43
TPSA127.14 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.52
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[1-[6-[(5-cyano-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]piperidin-4-yl]-2,2,2-trifluoro-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[1-[6-[(5-cyano-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]piperidin-4-yl]-2,2,2-trifluoro-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide?
The IUPAC name of N-[1-[6-[(5-cyano-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]piperidin-4-yl]-2,2,2-trifluoro-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide (CID 59913209) is N-[1-[6-[(5-cyano-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]piperidin-4-yl]-2,2,2-trifluoro-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide.
What is the SMILES notation for N-[1-[6-[(5-cyano-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]piperidin-4-yl]-2,2,2-trifluoro-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide?
The canonical SMILES for N-[1-[6-[(5-cyano-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]piperidin-4-yl]-2,2,2-trifluoro-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide is CC(C)NC(=O)CN(C(=O)C(F)(F)F)C1CCN(c2cc(Nc3ncc(C#N)s3)ncn2)CC1.
What is the InChIKey of N-[1-[6-[(5-cyano-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]piperidin-4-yl]-2,2,2-trifluoro-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide?
The InChIKey is VZWOABJXZYQEPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N8O2S/c1-12(2)28-17(32)10-31(18(33)20(21,22)23)13-3-5-30(6-4-13)16-7-15(26-11-27-16)29-19-25-9-14(8-24)34-19/h7,9,11-13H,3-6,10H2,1-2H3,(H,28,32)(H,25,26,27,29).
What are the key properties of N-[1-[6-[(5-cyano-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]piperidin-4-yl]-2,2,2-trifluoro-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide?
N-[1-[6-[(5-cyano-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]piperidin-4-yl]-2,2,2-trifluoro-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide has a molecular weight of 496.52 g/mol, XLogP of 2.43, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[6-[(5-cyano-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]piperidin-4-yl]-2,2,2-trifluoro-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide is sourced from PubChem (CID 59913209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).