N-[6-[(6-oxospiro[5H-pyrrolo[3,4-d][1,3]thiazole-4,1'-cyclohexane]-2-yl)amino]pyrimidin-4-yl]cyclopentanecarboxamide

C20H24N6O2S — CID 169086807

IUPACN-[6-[(6-oxospiro[5H-pyrrolo[3,4-d][1,3]thiazole-4,1'-cyclohexane]-2-yl)amino]pyrimidin-4-yl]cyclopentanecarboxamide
SMILESO=C1NC2(CCCCC2)c2nc(Nc3cc(NC(=O)C4CCCC4)ncn3)sc21
InChIInChI=1S/C20H24N6O2S/c27-17(12-6-2-3-7-12)23-13-10-14(22-11-21-13)24-19-25-16-15(29-19)18(28)26-20(16)8-4-1-5-9-20/h10-12H,1-9H2,(H,26,28)(H2,21,22,23,24,25,27)
InChIKeySAYHAFVYZSCOMC-UHFFFAOYSA-N
MW412.52 g/mol
LogP3.71
Rot. Bonds4

About N-[6-[(6-oxospiro[5H-pyrrolo[3,4-d][1,3]thiazole-4,1'-cyclohexane]-2-yl)amino]pyrimidin-4-yl]cyclopentanecarboxamide

N-[6-[(6-oxospiro[5H-pyrrolo[3,4-d][1,3]thiazole-4,1'-cyclohexane]-2-yl)amino]pyrimidin-4-yl]cyclopentanecarboxamide (PubChem CID 169086807) has the molecular formula C20H24N6O2S and a molecular weight of 412.52 g/mol. Its IUPAC name is N-[6-[(6-oxospiro[5H-pyrrolo[3,4-d][1,3]thiazole-4,1'-cyclohexane]-2-yl)amino]pyrimidin-4-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[6-[(6-oxospiro[5H-pyrrolo[3,4-d][1,3]thiazole-4,1'-cyclohexane]-2-yl)amino]pyrimidin-4-yl]cyclopentanecarboxamide
PubChem CID169086807
Molecular FormulaC20H24N6O2S
Molecular Weight412.52 g/mol
Exact Mass412.17
IUPAC NameN-[6-[(6-oxospiro[5H-pyrrolo[3,4-d][1,3]thiazole-4,1'-cyclohexane]-2-yl)amino]pyrimidin-4-yl]cyclopentanecarboxamide
SMILESO=C1NC2(CCCCC2)c2nc(Nc3cc(NC(=O)C4CCCC4)ncn3)sc21
InChIInChI=1S/C20H24N6O2S/c27-17(12-6-2-3-7-12)23-13-10-14(22-11-21-13)24-19-25-16-15(29-19)18(28)26-20(16)8-4-1-5-9-20/h10-12H,1-9H2,(H,26,28)(H2,21,22,23,24,25,27)
InChIKeySAYHAFVYZSCOMC-UHFFFAOYSA-N
XLogP3.71
TPSA108.90 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.52
LogP ≤ 53.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[6-[(6-oxospiro[5H-pyrrolo[3,4-d][1,3]thiazole-4,1'-cyclohexane]-2-yl)amino]pyrimidin-4-yl]cyclopentanecarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[6-[(6-oxospiro[5H-pyrrolo[3,4-d][1,3]thiazole-4,1'-cyclohexane]-2-yl)amino]pyrimidin-4-yl]cyclopentanecarboxamide?
The IUPAC name of N-[6-[(6-oxospiro[5H-pyrrolo[3,4-d][1,3]thiazole-4,1'-cyclohexane]-2-yl)amino]pyrimidin-4-yl]cyclopentanecarboxamide (CID 169086807) is N-[6-[(6-oxospiro[5H-pyrrolo[3,4-d][1,3]thiazole-4,1'-cyclohexane]-2-yl)amino]pyrimidin-4-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[6-[(6-oxospiro[5H-pyrrolo[3,4-d][1,3]thiazole-4,1'-cyclohexane]-2-yl)amino]pyrimidin-4-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[6-[(6-oxospiro[5H-pyrrolo[3,4-d][1,3]thiazole-4,1'-cyclohexane]-2-yl)amino]pyrimidin-4-yl]cyclopentanecarboxamide is O=C1NC2(CCCCC2)c2nc(Nc3cc(NC(=O)C4CCCC4)ncn3)sc21.
What is the InChIKey of N-[6-[(6-oxospiro[5H-pyrrolo[3,4-d][1,3]thiazole-4,1'-cyclohexane]-2-yl)amino]pyrimidin-4-yl]cyclopentanecarboxamide?
The InChIKey is SAYHAFVYZSCOMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O2S/c27-17(12-6-2-3-7-12)23-13-10-14(22-11-21-13)24-19-25-16-15(29-19)18(28)26-20(16)8-4-1-5-9-20/h10-12H,1-9H2,(H,26,28)(H2,21,22,23,24,25,27).
What are the key properties of N-[6-[(6-oxospiro[5H-pyrrolo[3,4-d][1,3]thiazole-4,1'-cyclohexane]-2-yl)amino]pyrimidin-4-yl]cyclopentanecarboxamide?
N-[6-[(6-oxospiro[5H-pyrrolo[3,4-d][1,3]thiazole-4,1'-cyclohexane]-2-yl)amino]pyrimidin-4-yl]cyclopentanecarboxamide has a molecular weight of 412.52 g/mol, XLogP of 3.71, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(6-oxospiro[5H-pyrrolo[3,4-d][1,3]thiazole-4,1'-cyclohexane]-2-yl)amino]pyrimidin-4-yl]cyclopentanecarboxamide is sourced from PubChem (CID 169086807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).