2-[4-[6-[(5-cyano-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]piperazin-1-yl]-N-propan-2-ylacetamide

C17H22N8OS — CID 10221762

IUPAC2-[4-[6-[(5-cyano-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]piperazin-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN1CCN(c2cc(Nc3ncc(C#N)s3)ncn2)CC1
InChIInChI=1S/C17H22N8OS/c1-12(2)22-16(26)10-24-3-5-25(6-4-24)15-7-14(20-11-21-15)23-17-19-9-13(8-18)27-17/h7,9,11-12H,3-6,10H2,1-2H3,(H,22,26)(H,19,20,21,23)
InChIKeyJGZOKFYXBQQBOT-UHFFFAOYSA-N
MW386.49 g/mol
LogP1.19
Rot. Bonds6

About 2-[4-[6-[(5-cyano-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]piperazin-1-yl]-N-propan-2-ylacetamide

2-[4-[6-[(5-cyano-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]piperazin-1-yl]-N-propan-2-ylacetamide (PubChem CID 10221762) has the molecular formula C17H22N8OS and a molecular weight of 386.49 g/mol. Its IUPAC name is 2-[4-[6-[(5-cyano-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]piperazin-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-[6-[(5-cyano-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]piperazin-1-yl]-N-propan-2-ylacetamide
PubChem CID10221762
Molecular FormulaC17H22N8OS
Molecular Weight386.49 g/mol
Exact Mass386.16
IUPAC Name2-[4-[6-[(5-cyano-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]piperazin-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN1CCN(c2cc(Nc3ncc(C#N)s3)ncn2)CC1
InChIInChI=1S/C17H22N8OS/c1-12(2)22-16(26)10-24-3-5-25(6-4-24)15-7-14(20-11-21-15)23-17-19-9-13(8-18)27-17/h7,9,11-12H,3-6,10H2,1-2H3,(H,22,26)(H,19,20,21,23)
InChIKeyJGZOKFYXBQQBOT-UHFFFAOYSA-N
XLogP1.19
TPSA110.07 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.49
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-[(5-cyano-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]piperazin-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-[6-[(5-cyano-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]piperazin-1-yl]-N-propan-2-ylacetamide (CID 10221762) is 2-[4-[6-[(5-cyano-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]piperazin-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-[6-[(5-cyano-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]piperazin-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-[6-[(5-cyano-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]piperazin-1-yl]-N-propan-2-ylacetamide is CC(C)NC(=O)CN1CCN(c2cc(Nc3ncc(C#N)s3)ncn2)CC1.
What is the InChIKey of 2-[4-[6-[(5-cyano-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]piperazin-1-yl]-N-propan-2-ylacetamide?
The InChIKey is JGZOKFYXBQQBOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N8OS/c1-12(2)22-16(26)10-24-3-5-25(6-4-24)15-7-14(20-11-21-15)23-17-19-9-13(8-18)27-17/h7,9,11-12H,3-6,10H2,1-2H3,(H,22,26)(H,19,20,21,23).
What are the key properties of 2-[4-[6-[(5-cyano-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]piperazin-1-yl]-N-propan-2-ylacetamide?
2-[4-[6-[(5-cyano-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]piperazin-1-yl]-N-propan-2-ylacetamide has a molecular weight of 386.49 g/mol, XLogP of 1.19, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-[(5-cyano-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]piperazin-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 10221762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).