2-ethyl-4-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine

C15H18N6S2 — CID 133403291

IUPAC2-ethyl-4-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine
SMILESCCc1nc(N2CCN(c3nc(C)ns3)CC2)c2ccsc2n1
InChIInChI=1S/C15H18N6S2/c1-3-12-17-13(11-4-9-22-14(11)18-12)20-5-7-21(8-6-20)15-16-10(2)19-23-15/h4,9H,3,5-8H2,1-2H3
InChIKeyCTSSZHRFBMZDKS-UHFFFAOYSA-N
MW346.49 g/mol
LogP2.74
Rot. Bonds3

About 2-ethyl-4-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine

2-ethyl-4-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine (PubChem CID 133403291) has the molecular formula C15H18N6S2 and a molecular weight of 346.49 g/mol. Its IUPAC name is 2-ethyl-4-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-ethyl-4-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine
PubChem CID133403291
Molecular FormulaC15H18N6S2
Molecular Weight346.49 g/mol
Exact Mass346.10
IUPAC Name2-ethyl-4-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine
SMILESCCc1nc(N2CCN(c3nc(C)ns3)CC2)c2ccsc2n1
InChIInChI=1S/C15H18N6S2/c1-3-12-17-13(11-4-9-22-14(11)18-12)20-5-7-21(8-6-20)15-16-10(2)19-23-15/h4,9H,3,5-8H2,1-2H3
InChIKeyCTSSZHRFBMZDKS-UHFFFAOYSA-N
XLogP2.74
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.49
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-ethyl-4-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine
CID 133403917
4-(2,3-dimethylpyrrolidin-1-yl)-2-ethylthieno[2,3-d]pyrimidine
CID 133403862
4-[4-(4-ethoxypyrimidin-2-yl)-1,4-diazepan-1-yl]-2-ethylthieno[2,3-d]pyrimidine
CID 133404794
2,2-diethyl-4-(2-ethylthieno[2,3-d]pyrimidin-4-yl)-1,4-thiazinane 1-oxide
CID 133479437
methyl 2-[1-(2-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-2-hydroxyacetate
CID 133423645
4-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]thieno[3,2-d]pyrimidine
CID 136527857
4-(azepan-1-yl)-2-methylthieno[2,3-d]pyrimidine
CID 2238996
N-(4-ethoxyphenyl)-2-[4-(2-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetamide
CID 133404732
5-[1-(2-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1H-pyrazol-3-amine
CID 133403957
4-[1-(2-ethylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]morpholine
CID 133403396
1-[1-(2-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]ethanol
CID 133423681
3-ethoxy-7-(2-ethylthieno[2,3-d]pyrimidin-4-yl)-7-azaspiro[3.5]nonan-1-ol
CID 133403099

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine?
The IUPAC name of 2-ethyl-4-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine (CID 133403291) is 2-ethyl-4-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine.
What is the SMILES notation for 2-ethyl-4-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine?
The canonical SMILES for 2-ethyl-4-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine is CCc1nc(N2CCN(c3nc(C)ns3)CC2)c2ccsc2n1.
What is the InChIKey of 2-ethyl-4-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine?
The InChIKey is CTSSZHRFBMZDKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6S2/c1-3-12-17-13(11-4-9-22-14(11)18-12)20-5-7-21(8-6-20)15-16-10(2)19-23-15/h4,9H,3,5-8H2,1-2H3.
What are the key properties of 2-ethyl-4-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine?
2-ethyl-4-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine has a molecular weight of 346.49 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine is sourced from PubChem (CID 133403291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).