2-[[6-[4-(2-oxopiperidin-3-yl)piperazin-1-yl]pyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile

C17H20N8OS — CID 10156862

IUPAC2-[[6-[4-(2-oxopiperidin-3-yl)piperazin-1-yl]pyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile
SMILESN#Cc1cnc(Nc2cc(N3CCN(C4CCCNC4=O)CC3)ncn2)s1
InChIInChI=1S/C17H20N8OS/c18-9-12-10-20-17(27-12)23-14-8-15(22-11-21-14)25-6-4-24(5-7-25)13-2-1-3-19-16(13)26/h8,10-11,13H,1-7H2,(H,19,26)(H,20,21,22,23)
InChIKeyISUQHDZGHXVGMT-UHFFFAOYSA-N
MW384.47 g/mol
LogP0.95
Rot. Bonds4

About 2-[[6-[4-(2-oxopiperidin-3-yl)piperazin-1-yl]pyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile

2-[[6-[4-(2-oxopiperidin-3-yl)piperazin-1-yl]pyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile (PubChem CID 10156862) has the molecular formula C17H20N8OS and a molecular weight of 384.47 g/mol. Its IUPAC name is 2-[[6-[4-(2-oxopiperidin-3-yl)piperazin-1-yl]pyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile.

Molecular Properties

Compound Name2-[[6-[4-(2-oxopiperidin-3-yl)piperazin-1-yl]pyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile
PubChem CID10156862
Molecular FormulaC17H20N8OS
Molecular Weight384.47 g/mol
Exact Mass384.15
IUPAC Name2-[[6-[4-(2-oxopiperidin-3-yl)piperazin-1-yl]pyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile
SMILESN#Cc1cnc(Nc2cc(N3CCN(C4CCCNC4=O)CC3)ncn2)s1
InChIInChI=1S/C17H20N8OS/c18-9-12-10-20-17(27-12)23-14-8-15(22-11-21-14)25-6-4-24(5-7-25)13-2-1-3-19-16(13)26/h8,10-11,13H,1-7H2,(H,19,26)(H,20,21,22,23)
InChIKeyISUQHDZGHXVGMT-UHFFFAOYSA-N
XLogP0.95
TPSA110.07 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.47
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-[4-(2-oxopiperidin-3-yl)piperazin-1-yl]pyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile?
The IUPAC name of 2-[[6-[4-(2-oxopiperidin-3-yl)piperazin-1-yl]pyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile (CID 10156862) is 2-[[6-[4-(2-oxopiperidin-3-yl)piperazin-1-yl]pyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile.
What is the SMILES notation for 2-[[6-[4-(2-oxopiperidin-3-yl)piperazin-1-yl]pyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile?
The canonical SMILES for 2-[[6-[4-(2-oxopiperidin-3-yl)piperazin-1-yl]pyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile is N#Cc1cnc(Nc2cc(N3CCN(C4CCCNC4=O)CC3)ncn2)s1.
What is the InChIKey of 2-[[6-[4-(2-oxopiperidin-3-yl)piperazin-1-yl]pyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile?
The InChIKey is ISUQHDZGHXVGMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N8OS/c18-9-12-10-20-17(27-12)23-14-8-15(22-11-21-14)25-6-4-24(5-7-25)13-2-1-3-19-16(13)26/h8,10-11,13H,1-7H2,(H,19,26)(H,20,21,22,23).
What are the key properties of 2-[[6-[4-(2-oxopiperidin-3-yl)piperazin-1-yl]pyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile?
2-[[6-[4-(2-oxopiperidin-3-yl)piperazin-1-yl]pyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile has a molecular weight of 384.47 g/mol, XLogP of 0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-[4-(2-oxopiperidin-3-yl)piperazin-1-yl]pyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 10156862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).