1-(3-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carbaldehyde

C12H14N4OS — CID 114203358

IUPAC1-(3-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carbaldehyde
SMILESCc1nsc2ncnc(N3CCC(C=O)CC3)c12
InChIInChI=1S/C12H14N4OS/c1-8-10-11(13-7-14-12(10)18-15-8)16-4-2-9(6-17)3-5-16/h6-7,9H,2-5H2,1H3
InChIKeySERAKJVRFDGANF-UHFFFAOYSA-N
MW262.34 g/mol
LogP1.81
Rot. Bonds2

About 1-(3-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carbaldehyde

1-(3-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carbaldehyde (PubChem CID 114203358) has the molecular formula C12H14N4OS and a molecular weight of 262.34 g/mol. Its IUPAC name is 1-(3-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carbaldehyde.

Molecular Properties

Compound Name1-(3-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carbaldehyde
PubChem CID114203358
Molecular FormulaC12H14N4OS
Molecular Weight262.34 g/mol
Exact Mass262.09
IUPAC Name1-(3-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carbaldehyde
SMILESCc1nsc2ncnc(N3CCC(C=O)CC3)c12
InChIInChI=1S/C12H14N4OS/c1-8-10-11(13-7-14-12(10)18-15-8)16-4-2-9(6-17)3-5-16/h6-7,9H,2-5H2,1H3
InChIKeySERAKJVRFDGANF-UHFFFAOYSA-N
XLogP1.81
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(1-bromoethyl)piperidin-1-yl]-3-methyl-[1,2]thiazolo[5,4-d]pyrimidine
CID 114203388
1-(3,6-dimethylpyrazin-2-yl)piperidine-4-carbaldehyde
CID 65419285
4-(3-bromo-8-azabicyclo[3.2.1]octan-8-yl)-3-methyl-[1,2]thiazolo[5,4-d]pyrimidine
CID 114203372
1-(6-chloro-5-fluoropyrimidin-4-yl)piperidine-4-carbaldehyde
CID 153366942
1-(3-methyl-2-pyridinyl)piperidine-4-carbaldehyde
CID 62663790
1-(5,6-dimethylpyrazin-2-yl)piperidine-4-carbaldehyde
CID 114477235
4-(4-bromopiperidin-1-yl)-5,6-dimethylthieno[2,3-d]pyrimidine
CID 80673981
4-[4-(bromomethyl)piperidin-1-yl]-5,6-dimethylthieno[2,3-d]pyrimidine
CID 80670146
(5S)-5-[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-5-methylimidazolidine-2,4-dione
CID 95788188
[5-methyl-4-(4-methylpiperidin-1-yl)thieno[2,3-d]pyrimidin-6-yl]-(4-methylpiperidin-1-yl)methanone
CID 5236670
N-[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanesulfonamide
CID 41332420
1-[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]ethanamine
CID 103976599

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carbaldehyde?
The IUPAC name of 1-(3-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carbaldehyde (CID 114203358) is 1-(3-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carbaldehyde.
What is the SMILES notation for 1-(3-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carbaldehyde?
The canonical SMILES for 1-(3-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carbaldehyde is Cc1nsc2ncnc(N3CCC(C=O)CC3)c12.
What is the InChIKey of 1-(3-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carbaldehyde?
The InChIKey is SERAKJVRFDGANF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4OS/c1-8-10-11(13-7-14-12(10)18-15-8)16-4-2-9(6-17)3-5-16/h6-7,9H,2-5H2,1H3.
What are the key properties of 1-(3-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carbaldehyde?
1-(3-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carbaldehyde has a molecular weight of 262.34 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carbaldehyde is sourced from PubChem (CID 114203358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).