4-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-6-(1,2,2,2-tetrafluoroethyl)thieno[2,3-d]pyrimidine

C15H14F4N6S2 — CID 90453138

IUPAC4-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-6-(1,2,2,2-tetrafluoroethyl)thieno[2,3-d]pyrimidine
SMILESCc1nnc(N2CCN(c3ncnc4sc(C(F)C(F)(F)F)cc34)CC2)s1
InChIInChI=1S/C15H14F4N6S2/c1-8-22-23-14(26-8)25-4-2-24(3-5-25)12-9-6-10(11(16)15(17,18)19)27-13(9)21-7-20-12/h6-7,11H,2-5H2,1H3
InChIKeyUNCJGQZLVPQPIV-UHFFFAOYSA-N
MW418.45 g/mol
LogP3.75
Rot. Bonds3

About 4-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-6-(1,2,2,2-tetrafluoroethyl)thieno[2,3-d]pyrimidine

4-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-6-(1,2,2,2-tetrafluoroethyl)thieno[2,3-d]pyrimidine (PubChem CID 90453138) has the molecular formula C15H14F4N6S2 and a molecular weight of 418.45 g/mol. Its IUPAC name is 4-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-6-(1,2,2,2-tetrafluoroethyl)thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-6-(1,2,2,2-tetrafluoroethyl)thieno[2,3-d]pyrimidine
PubChem CID90453138
Molecular FormulaC15H14F4N6S2
Molecular Weight418.45 g/mol
Exact Mass418.07
IUPAC Name4-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-6-(1,2,2,2-tetrafluoroethyl)thieno[2,3-d]pyrimidine
SMILESCc1nnc(N2CCN(c3ncnc4sc(C(F)C(F)(F)F)cc34)CC2)s1
InChIInChI=1S/C15H14F4N6S2/c1-8-22-23-14(26-8)25-4-2-24(3-5-25)12-9-6-10(11(16)15(17,18)19)27-13(9)21-7-20-12/h6-7,11H,2-5H2,1H3
InChIKeyUNCJGQZLVPQPIV-UHFFFAOYSA-N
XLogP3.75
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.45
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-6-(1,2,2,2-tetrafluoroethyl)thieno[2,3-d]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-6-(1,2,2,2-tetrafluoroethyl)thieno[2,3-d]pyrimidine?
The IUPAC name of 4-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-6-(1,2,2,2-tetrafluoroethyl)thieno[2,3-d]pyrimidine (CID 90453138) is 4-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-6-(1,2,2,2-tetrafluoroethyl)thieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-6-(1,2,2,2-tetrafluoroethyl)thieno[2,3-d]pyrimidine?
The canonical SMILES for 4-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-6-(1,2,2,2-tetrafluoroethyl)thieno[2,3-d]pyrimidine is Cc1nnc(N2CCN(c3ncnc4sc(C(F)C(F)(F)F)cc34)CC2)s1.
What is the InChIKey of 4-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-6-(1,2,2,2-tetrafluoroethyl)thieno[2,3-d]pyrimidine?
The InChIKey is UNCJGQZLVPQPIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F4N6S2/c1-8-22-23-14(26-8)25-4-2-24(3-5-25)12-9-6-10(11(16)15(17,18)19)27-13(9)21-7-20-12/h6-7,11H,2-5H2,1H3.
What are the key properties of 4-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-6-(1,2,2,2-tetrafluoroethyl)thieno[2,3-d]pyrimidine?
4-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-6-(1,2,2,2-tetrafluoroethyl)thieno[2,3-d]pyrimidine has a molecular weight of 418.45 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-6-(1,2,2,2-tetrafluoroethyl)thieno[2,3-d]pyrimidine is sourced from PubChem (CID 90453138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).