3,5-dimethyl-7-piperidin-4-yl-[1,2]thiazolo[4,5-d]pyrimidine

C12H16N4S — CID 82383284

IUPAC3,5-dimethyl-7-piperidin-4-yl-[1,2]thiazolo[4,5-d]pyrimidine
SMILESCc1nc(C2CCNCC2)c2snc(C)c2n1
InChIInChI=1S/C12H16N4S/c1-7-10-12(17-16-7)11(15-8(2)14-10)9-3-5-13-6-4-9/h9,13H,3-6H2,1-2H3
InChIKeyGWKLEJFQWOIMID-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.17
Rot. Bonds1

About 3,5-dimethyl-7-piperidin-4-yl-[1,2]thiazolo[4,5-d]pyrimidine

3,5-dimethyl-7-piperidin-4-yl-[1,2]thiazolo[4,5-d]pyrimidine (PubChem CID 82383284) has the molecular formula C12H16N4S and a molecular weight of 248.35 g/mol. Its IUPAC name is 3,5-dimethyl-7-piperidin-4-yl-[1,2]thiazolo[4,5-d]pyrimidine.

Molecular Properties

Compound Name3,5-dimethyl-7-piperidin-4-yl-[1,2]thiazolo[4,5-d]pyrimidine
PubChem CID82383284
Molecular FormulaC12H16N4S
Molecular Weight248.35 g/mol
Exact Mass248.11
IUPAC Name3,5-dimethyl-7-piperidin-4-yl-[1,2]thiazolo[4,5-d]pyrimidine
SMILESCc1nc(C2CCNCC2)c2snc(C)c2n1
InChIInChI=1S/C12H16N4S/c1-7-10-12(17-16-7)11(15-8(2)14-10)9-3-5-13-6-4-9/h9,13H,3-6H2,1-2H3
InChIKeyGWKLEJFQWOIMID-UHFFFAOYSA-N
XLogP2.17
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-tert-butyl-2-methyl-4-piperidin-4-ylthieno[3,2-d]pyrimidine;hydrochloride
CID 70016451
2,7-dimethyl-6-phenyl-4-piperidin-4-yl-5H-pyrrolo[3,2-d]pyrimidine
CID 54543989
2,4-dimethyl-6-piperidin-4-yl-1,3,5-triazine
CID 82468969
1,6-dimethyl-4-piperidin-4-ylpyrazolo[3,4-d]pyrimidine
CID 96599519
acetyl 2,4-dimethyl-6-piperidin-4-ylpyrimidine-5-carboxylate
CID 144611087
2-(2,4-dimethyl-6-piperidin-4-ylpyrimidin-5-yl)-5-methyl-1,3,4-oxadiazole
CID 118391870
ethyl 2,4-dimethyl-6-piperidin-4-ylpyrimidine-5-carboxylate
CID 140688887
2-methyl-4-piperidin-4-yl-1,3-thiazole-5-carboxylic acid
CID 105484003
4,5,6-trimethyl-2-piperidin-4-ylpyrimidine
CID 63317217
4-cyclopropyl-2,5,6-trimethylpyrimidine
CID 163258333
5-methyl-3-piperidin-4-yl-1H-pyrazol-4-amine
CID 165446837
6-methyl-3-piperidin-4-ylthieno[2,3-d][1,2]oxazole;hydrochloride
CID 23112449

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-7-piperidin-4-yl-[1,2]thiazolo[4,5-d]pyrimidine?
The IUPAC name of 3,5-dimethyl-7-piperidin-4-yl-[1,2]thiazolo[4,5-d]pyrimidine (CID 82383284) is 3,5-dimethyl-7-piperidin-4-yl-[1,2]thiazolo[4,5-d]pyrimidine.
What is the SMILES notation for 3,5-dimethyl-7-piperidin-4-yl-[1,2]thiazolo[4,5-d]pyrimidine?
The canonical SMILES for 3,5-dimethyl-7-piperidin-4-yl-[1,2]thiazolo[4,5-d]pyrimidine is Cc1nc(C2CCNCC2)c2snc(C)c2n1.
What is the InChIKey of 3,5-dimethyl-7-piperidin-4-yl-[1,2]thiazolo[4,5-d]pyrimidine?
The InChIKey is GWKLEJFQWOIMID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4S/c1-7-10-12(17-16-7)11(15-8(2)14-10)9-3-5-13-6-4-9/h9,13H,3-6H2,1-2H3.
What are the key properties of 3,5-dimethyl-7-piperidin-4-yl-[1,2]thiazolo[4,5-d]pyrimidine?
3,5-dimethyl-7-piperidin-4-yl-[1,2]thiazolo[4,5-d]pyrimidine has a molecular weight of 248.35 g/mol, XLogP of 2.17, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-7-piperidin-4-yl-[1,2]thiazolo[4,5-d]pyrimidine is sourced from PubChem (CID 82383284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).