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

C12H16N4S2 — CID 718473

IUPAC3,5-dimethyl-7-piperidin-1-yl-[1,3]thiazolo[4,5-d]pyrimidine-2-thione
SMILESCc1nc(N2CCCCC2)c2sc(=S)n(C)c2n1
InChIInChI=1S/C12H16N4S2/c1-8-13-10-9(18-12(17)15(10)2)11(14-8)16-6-4-3-5-7-16/h3-7H2,1-2H3
InChIKeyZUMIGXVHMRNBJI-UHFFFAOYSA-N
MW280.42 g/mol
LogP3.06
Rot. Bonds1

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

3,5-dimethyl-7-piperidin-1-yl-[1,3]thiazolo[4,5-d]pyrimidine-2-thione (PubChem CID 718473) has the molecular formula C12H16N4S2 and a molecular weight of 280.42 g/mol. Its IUPAC name is 3,5-dimethyl-7-piperidin-1-yl-[1,3]thiazolo[4,5-d]pyrimidine-2-thione.

Molecular Properties

Compound Name3,5-dimethyl-7-piperidin-1-yl-[1,3]thiazolo[4,5-d]pyrimidine-2-thione
PubChem CID718473
Molecular FormulaC12H16N4S2
Molecular Weight280.42 g/mol
Exact Mass280.08
IUPAC Name3,5-dimethyl-7-piperidin-1-yl-[1,3]thiazolo[4,5-d]pyrimidine-2-thione
SMILESCc1nc(N2CCCCC2)c2sc(=S)n(C)c2n1
InChIInChI=1S/C12H16N4S2/c1-8-13-10-9(18-12(17)15(10)2)11(14-8)16-6-4-3-5-7-16/h3-7H2,1-2H3
InChIKeyZUMIGXVHMRNBJI-UHFFFAOYSA-N
XLogP3.06
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

5-methyl-7-(4-methylpiperazin-4-ium-1-yl)-3-phenyl-[1,3]thiazolo[4,5-d]pyrimidine-2-thione
CID 5200031
CID 161026737
CID 161026737
3-methyl-7-(4-methylpiperazin-4-ium-1-yl)-[1,3]thiazolo[4,5-d]pyrimidine-2-thione
CID 6919582
2,8-dimethyl-9-propyl-6-pyrrolidin-1-ylpurine
CID 131860842
2-methyl-4-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidine
CID 67258807
4-(azepan-1-yl)-2-methylthieno[2,3-d]pyrimidine
CID 2238996
4-(azepan-1-yl)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylic acid
CID 28854888
6-ethyl-2-methyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine
CID 6458221
1,3,5-trimethyl-7-pyrrolidin-1-ylpyrazolo[4,5-d]pyrimidine
CID 39893215
2-methyl-4-pyrrolidin-1-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine
CID 700882
4-(azepan-1-yl)-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidine
CID 110430224
4-(azepan-1-yl)-2-methylquinazoline chloride
CID 53351740

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-7-piperidin-1-yl-[1,3]thiazolo[4,5-d]pyrimidine-2-thione?
The IUPAC name of 3,5-dimethyl-7-piperidin-1-yl-[1,3]thiazolo[4,5-d]pyrimidine-2-thione (CID 718473) is 3,5-dimethyl-7-piperidin-1-yl-[1,3]thiazolo[4,5-d]pyrimidine-2-thione.
What is the SMILES notation for 3,5-dimethyl-7-piperidin-1-yl-[1,3]thiazolo[4,5-d]pyrimidine-2-thione?
The canonical SMILES for 3,5-dimethyl-7-piperidin-1-yl-[1,3]thiazolo[4,5-d]pyrimidine-2-thione is Cc1nc(N2CCCCC2)c2sc(=S)n(C)c2n1.
What is the InChIKey of 3,5-dimethyl-7-piperidin-1-yl-[1,3]thiazolo[4,5-d]pyrimidine-2-thione?
The InChIKey is ZUMIGXVHMRNBJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4S2/c1-8-13-10-9(18-12(17)15(10)2)11(14-8)16-6-4-3-5-7-16/h3-7H2,1-2H3.
What are the key properties of 3,5-dimethyl-7-piperidin-1-yl-[1,3]thiazolo[4,5-d]pyrimidine-2-thione?
3,5-dimethyl-7-piperidin-1-yl-[1,3]thiazolo[4,5-d]pyrimidine-2-thione has a molecular weight of 280.42 g/mol, XLogP of 3.06, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-7-piperidin-1-yl-[1,3]thiazolo[4,5-d]pyrimidine-2-thione is sourced from PubChem (CID 718473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).