4-amino-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)piperidine-1-carboxamide

C12H16N6O2S — CID 59011952

IUPAC4-amino-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)piperidine-1-carboxamide
SMILESCOc1ncnc2sc(NC(=O)N3CCC(N)CC3)nc12
InChIInChI=1S/C12H16N6O2S/c1-20-9-8-10(15-6-14-9)21-11(16-8)17-12(19)18-4-2-7(13)3-5-18/h6-7H,2-5,13H2,1H3,(H,16,17,19)
InChIKeyBGHVAOYVHFHFRT-UHFFFAOYSA-N
MW308.37 g/mol
LogP1.05
Rot. Bonds2

About 4-amino-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)piperidine-1-carboxamide

4-amino-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)piperidine-1-carboxamide (PubChem CID 59011952) has the molecular formula C12H16N6O2S and a molecular weight of 308.37 g/mol. Its IUPAC name is 4-amino-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)piperidine-1-carboxamide
PubChem CID59011952
Molecular FormulaC12H16N6O2S
Molecular Weight308.37 g/mol
Exact Mass308.11
IUPAC Name4-amino-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)piperidine-1-carboxamide
SMILESCOc1ncnc2sc(NC(=O)N3CCC(N)CC3)nc12
InChIInChI=1S/C12H16N6O2S/c1-20-9-8-10(15-6-14-9)21-11(16-8)17-12(19)18-4-2-7(13)3-5-18/h6-7H,2-5,13H2,1H3,(H,16,17,19)
InChIKeyBGHVAOYVHFHFRT-UHFFFAOYSA-N
XLogP1.05
TPSA106.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.37
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)piperidine-1-carboxamide?
The IUPAC name of 4-amino-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)piperidine-1-carboxamide (CID 59011952) is 4-amino-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)piperidine-1-carboxamide.
What is the SMILES notation for 4-amino-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)piperidine-1-carboxamide?
The canonical SMILES for 4-amino-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)piperidine-1-carboxamide is COc1ncnc2sc(NC(=O)N3CCC(N)CC3)nc12.
What is the InChIKey of 4-amino-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)piperidine-1-carboxamide?
The InChIKey is BGHVAOYVHFHFRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O2S/c1-20-9-8-10(15-6-14-9)21-11(16-8)17-12(19)18-4-2-7(13)3-5-18/h6-7H,2-5,13H2,1H3,(H,16,17,19).
What are the key properties of 4-amino-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)piperidine-1-carboxamide?
4-amino-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)piperidine-1-carboxamide has a molecular weight of 308.37 g/mol, XLogP of 1.05, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)piperidine-1-carboxamide is sourced from PubChem (CID 59011952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).