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

C19H26N8OS — CID 10001856

IUPAC2-[4-[[6-[(5-cyano-1,3-thiazol-2-yl)amino]-2-methylpyrimidin-4-yl]amino]piperidin-1-yl]-N-propan-2-ylacetamide
SMILESCc1nc(Nc2ncc(C#N)s2)cc(NC2CCN(CC(=O)NC(C)C)CC2)n1
InChIInChI=1S/C19H26N8OS/c1-12(2)22-18(28)11-27-6-4-14(5-7-27)25-16-8-17(24-13(3)23-16)26-19-21-10-15(9-20)29-19/h8,10,12,14H,4-7,11H2,1-3H3,(H,22,28)(H2,21,23,24,25,26)
InChIKeyFQOMPCOFMRSUDX-UHFFFAOYSA-N
MW414.54 g/mol
LogP2.26
Rot. Bonds7

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

2-[4-[[6-[(5-cyano-1,3-thiazol-2-yl)amino]-2-methylpyrimidin-4-yl]amino]piperidin-1-yl]-N-propan-2-ylacetamide (PubChem CID 10001856) has the molecular formula C19H26N8OS and a molecular weight of 414.54 g/mol. Its IUPAC name is 2-[4-[[6-[(5-cyano-1,3-thiazol-2-yl)amino]-2-methylpyrimidin-4-yl]amino]piperidin-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-[[6-[(5-cyano-1,3-thiazol-2-yl)amino]-2-methylpyrimidin-4-yl]amino]piperidin-1-yl]-N-propan-2-ylacetamide
PubChem CID10001856
Molecular FormulaC19H26N8OS
Molecular Weight414.54 g/mol
Exact Mass414.20
IUPAC Name2-[4-[[6-[(5-cyano-1,3-thiazol-2-yl)amino]-2-methylpyrimidin-4-yl]amino]piperidin-1-yl]-N-propan-2-ylacetamide
SMILESCc1nc(Nc2ncc(C#N)s2)cc(NC2CCN(CC(=O)NC(C)C)CC2)n1
InChIInChI=1S/C19H26N8OS/c1-12(2)22-18(28)11-27-6-4-14(5-7-27)25-16-8-17(24-13(3)23-16)26-19-21-10-15(9-20)29-19/h8,10,12,14H,4-7,11H2,1-3H3,(H,22,28)(H2,21,23,24,25,26)
InChIKeyFQOMPCOFMRSUDX-UHFFFAOYSA-N
XLogP2.26
TPSA118.86 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.54
LogP ≤ 52.26
H-Bond Donors ≤ 53
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]-2-methylpyrimidin-4-yl]amino]piperidin-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-[[6-[(5-cyano-1,3-thiazol-2-yl)amino]-2-methylpyrimidin-4-yl]amino]piperidin-1-yl]-N-propan-2-ylacetamide (CID 10001856) is 2-[4-[[6-[(5-cyano-1,3-thiazol-2-yl)amino]-2-methylpyrimidin-4-yl]amino]piperidin-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-[[6-[(5-cyano-1,3-thiazol-2-yl)amino]-2-methylpyrimidin-4-yl]amino]piperidin-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-[[6-[(5-cyano-1,3-thiazol-2-yl)amino]-2-methylpyrimidin-4-yl]amino]piperidin-1-yl]-N-propan-2-ylacetamide is Cc1nc(Nc2ncc(C#N)s2)cc(NC2CCN(CC(=O)NC(C)C)CC2)n1.
What is the InChIKey of 2-[4-[[6-[(5-cyano-1,3-thiazol-2-yl)amino]-2-methylpyrimidin-4-yl]amino]piperidin-1-yl]-N-propan-2-ylacetamide?
The InChIKey is FQOMPCOFMRSUDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N8OS/c1-12(2)22-18(28)11-27-6-4-14(5-7-27)25-16-8-17(24-13(3)23-16)26-19-21-10-15(9-20)29-19/h8,10,12,14H,4-7,11H2,1-3H3,(H,22,28)(H2,21,23,24,25,26).
What are the key properties of 2-[4-[[6-[(5-cyano-1,3-thiazol-2-yl)amino]-2-methylpyrimidin-4-yl]amino]piperidin-1-yl]-N-propan-2-ylacetamide?
2-[4-[[6-[(5-cyano-1,3-thiazol-2-yl)amino]-2-methylpyrimidin-4-yl]amino]piperidin-1-yl]-N-propan-2-ylacetamide has a molecular weight of 414.54 g/mol, XLogP of 2.26, 7 rotatable bonds, 3 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]-2-methylpyrimidin-4-yl]amino]piperidin-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 10001856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).