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

C12H15N5O2S — CID 141189614

IUPACN-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)piperidine-1-carboxamide
SMILESCOc1ncnc2sc(NC(=O)N3CCCCC3)nc12
InChIInChI=1S/C12H15N5O2S/c1-19-9-8-10(14-7-13-9)20-11(15-8)16-12(18)17-5-3-2-4-6-17/h7H,2-6H2,1H3,(H,15,16,18)
InChIKeyVDBJHHNEWOOZLH-UHFFFAOYSA-N
MW293.35 g/mol
LogP2.11
Rot. Bonds2

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

N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)piperidine-1-carboxamide (PubChem CID 141189614) has the molecular formula C12H15N5O2S and a molecular weight of 293.35 g/mol. Its IUPAC name is N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)piperidine-1-carboxamide
PubChem CID141189614
Molecular FormulaC12H15N5O2S
Molecular Weight293.35 g/mol
Exact Mass293.09
IUPAC NameN-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)piperidine-1-carboxamide
SMILESCOc1ncnc2sc(NC(=O)N3CCCCC3)nc12
InChIInChI=1S/C12H15N5O2S/c1-19-9-8-10(14-7-13-9)20-11(15-8)16-12(18)17-5-3-2-4-6-17/h7H,2-6H2,1H3,(H,15,16,18)
InChIKeyVDBJHHNEWOOZLH-UHFFFAOYSA-N
XLogP2.11
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)piperidine-1-carboxamide?
The IUPAC name of N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)piperidine-1-carboxamide (CID 141189614) is N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)piperidine-1-carboxamide?
The canonical SMILES for N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)piperidine-1-carboxamide is COc1ncnc2sc(NC(=O)N3CCCCC3)nc12.
What is the InChIKey of N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)piperidine-1-carboxamide?
The InChIKey is VDBJHHNEWOOZLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2S/c1-19-9-8-10(14-7-13-9)20-11(15-8)16-12(18)17-5-3-2-4-6-17/h7H,2-6H2,1H3,(H,15,16,18).
What are the key properties of N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)piperidine-1-carboxamide?
N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)piperidine-1-carboxamide has a molecular weight of 293.35 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)piperidine-1-carboxamide is sourced from PubChem (CID 141189614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).