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

C13H14N6S2 — CID 136527857

IUPAC4-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]thieno[3,2-d]pyrimidine
SMILESCc1nsc(N2CCN(c3ncnc4ccsc34)CC2)n1
InChIInChI=1S/C13H14N6S2/c1-9-16-13(21-17-9)19-5-3-18(4-6-19)12-11-10(2-7-20-11)14-8-15-12/h2,7-8H,3-6H2,1H3
InChIKeyMNXJFWDRBHUROK-UHFFFAOYSA-N
MW318.43 g/mol
LogP2.18
Rot. Bonds2

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

4-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]thieno[3,2-d]pyrimidine (PubChem CID 136527857) has the molecular formula C13H14N6S2 and a molecular weight of 318.43 g/mol. Its IUPAC name is 4-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]thieno[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]thieno[3,2-d]pyrimidine
PubChem CID136527857
Molecular FormulaC13H14N6S2
Molecular Weight318.43 g/mol
Exact Mass318.07
IUPAC Name4-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]thieno[3,2-d]pyrimidine
SMILESCc1nsc(N2CCN(c3ncnc4ccsc34)CC2)n1
InChIInChI=1S/C13H14N6S2/c1-9-16-13(21-17-9)19-5-3-18(4-6-19)12-11-10(2-7-20-11)14-8-15-12/h2,7-8H,3-6H2,1H3
InChIKeyMNXJFWDRBHUROK-UHFFFAOYSA-N
XLogP2.18
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.43
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-[4-(5-methyl-1,3-thiazol-2-yl)piperazin-1-yl]thieno[3,2-d]pyrimidine
CID 133349538
5-[4-(5-fluoro-6-methylpyrimidin-4-yl)piperazin-1-yl]-3-methyl-1,2,4-thiadiazole
CID 139028556
4-[2-methyl-6-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)pyrimidin-4-yl]morpholine
CID 155981619
4-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]thieno[3,2-d]pyrimidine
CID 154883702
N,N,4-trimethyl-6-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)pyrimidin-2-amine
CID 155942605
4-[4-(3-ethoxy-2-pyridinyl)piperazin-1-yl]thieno[3,2-d]pyrimidine
CID 138008494
4-[4-(2-chloroethyl)piperazin-1-yl]thieno[3,2-d]pyrimidine
CID 63392635
2-methyl-2-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)propanenitrile
CID 60702030
1-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)propan-1-one
CID 110873227
4-[4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazin-1-yl]thieno[3,2-d]pyrimidine
CID 146124392
2-(4-methylphenyl)-2-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)ethanamine
CID 143569190
2-ethyl-1-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)butan-1-one
CID 110873231

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]thieno[3,2-d]pyrimidine?
The IUPAC name of 4-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]thieno[3,2-d]pyrimidine (CID 136527857) is 4-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]thieno[3,2-d]pyrimidine.
What is the SMILES notation for 4-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]thieno[3,2-d]pyrimidine?
The canonical SMILES for 4-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]thieno[3,2-d]pyrimidine is Cc1nsc(N2CCN(c3ncnc4ccsc34)CC2)n1.
What is the InChIKey of 4-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]thieno[3,2-d]pyrimidine?
The InChIKey is MNXJFWDRBHUROK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6S2/c1-9-16-13(21-17-9)19-5-3-18(4-6-19)12-11-10(2-7-20-11)14-8-15-12/h2,7-8H,3-6H2,1H3.
What are the key properties of 4-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]thieno[3,2-d]pyrimidine?
4-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]thieno[3,2-d]pyrimidine has a molecular weight of 318.43 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]thieno[3,2-d]pyrimidine is sourced from PubChem (CID 136527857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).