[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone

C22H27N5OS2 — CID 56532637

IUPAC[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
SMILESCc1sc2ncnc(N3CCC(C(=O)N4CCCC(c5nccs5)C4)CC3)c2c1C
InChIInChI=1S/C22H27N5OS2/c1-14-15(2)30-21-18(14)19(24-13-25-21)26-9-5-16(6-10-26)22(28)27-8-3-4-17(12-27)20-23-7-11-29-20/h7,11,13,16-17H,3-6,8-10,12H2,1-2H3
InChIKeyIJEFGTXWBQTURV-UHFFFAOYSA-N
MW441.63 g/mol
LogP4.39
Rot. Bonds3

About [1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone

[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone (PubChem CID 56532637) has the molecular formula C22H27N5OS2 and a molecular weight of 441.63 g/mol. Its IUPAC name is [1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
PubChem CID56532637
Molecular FormulaC22H27N5OS2
Molecular Weight441.63 g/mol
Exact Mass441.17
IUPAC Name[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
SMILESCc1sc2ncnc(N3CCC(C(=O)N4CCCC(c5nccs5)C4)CC3)c2c1C
InChIInChI=1S/C22H27N5OS2/c1-14-15(2)30-21-18(14)19(24-13-25-21)26-9-5-16(6-10-26)22(28)27-8-3-4-17(12-27)20-23-7-11-29-20/h7,11,13,16-17H,3-6,8-10,12H2,1-2H3
InChIKeyIJEFGTXWBQTURV-UHFFFAOYSA-N
XLogP4.39
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.63
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone with MolForge

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Related Compounds

1,4-diazepan-1-yl-[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanone;hydrochloride
CID 119417339
(2-oxo-2-pyrrolidin-1-ylethyl) 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylate
CID 8606723
methyl 1-[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carbonyl]pyrrolidine-2-carboxylate
CID 112809207
[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-[2-(4-fluorophenyl)morpholin-4-yl]methanone
CID 55563763
N-(4-acetamidophenyl)-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 30266901
4-(4-bromopiperidin-1-yl)-5,6-dimethylthieno[2,3-d]pyrimidine
CID 80673981
1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 30273244
[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl] 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylate
CID 24606280
5,6-dimethyl-4-(3-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine
CID 2973940
4-(3-bromopiperidin-1-yl)-5,6-dimethylthieno[2,3-d]pyrimidine
CID 80672734
4-[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carbonyl]-3-ethylpiperazin-2-one
CID 46977265
[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]methanone
CID 55395860

Frequently Asked Questions

What is the IUPAC name of [1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of [1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone (CID 56532637) is [1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for [1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone is Cc1sc2ncnc(N3CCC(C(=O)N4CCCC(c5nccs5)C4)CC3)c2c1C.
What is the InChIKey of [1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is IJEFGTXWBQTURV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5OS2/c1-14-15(2)30-21-18(14)19(24-13-25-21)26-9-5-16(6-10-26)22(28)27-8-3-4-17(12-27)20-23-7-11-29-20/h7,11,13,16-17H,3-6,8-10,12H2,1-2H3.
What are the key properties of [1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 441.63 g/mol, XLogP of 4.39, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 56532637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).