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

C15H14F3N5S2 — CID 171130407

IUPAC4-[4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]thieno[3,2-d]pyrimidine
SMILESFC(F)(F)c1csc(CN2CCN(c3ncnc4ccsc34)CC2)n1
InChIInChI=1S/C15H14F3N5S2/c16-15(17,18)11-8-25-12(21-11)7-22-2-4-23(5-3-22)14-13-10(1-6-24-13)19-9-20-14/h1,6,8-9H,2-5,7H2
InChIKeyOUSIADPQMXOLPA-UHFFFAOYSA-N
MW385.44 g/mol
LogP3.49
Rot. Bonds3

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

4-[4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]thieno[3,2-d]pyrimidine (PubChem CID 171130407) has the molecular formula C15H14F3N5S2 and a molecular weight of 385.44 g/mol. Its IUPAC name is 4-[4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]thieno[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-[4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]thieno[3,2-d]pyrimidine
PubChem CID171130407
Molecular FormulaC15H14F3N5S2
Molecular Weight385.44 g/mol
Exact Mass385.06
IUPAC Name4-[4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]thieno[3,2-d]pyrimidine
SMILESFC(F)(F)c1csc(CN2CCN(c3ncnc4ccsc34)CC2)n1
InChIInChI=1S/C15H14F3N5S2/c16-15(17,18)11-8-25-12(21-11)7-22-2-4-23(5-3-22)14-13-10(1-6-24-13)19-9-20-14/h1,6,8-9H,2-5,7H2
InChIKeyOUSIADPQMXOLPA-UHFFFAOYSA-N
XLogP3.49
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]thieno[3,2-d]pyrimidine?
The IUPAC name of 4-[4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]thieno[3,2-d]pyrimidine (CID 171130407) is 4-[4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]thieno[3,2-d]pyrimidine.
What is the SMILES notation for 4-[4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]thieno[3,2-d]pyrimidine?
The canonical SMILES for 4-[4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]thieno[3,2-d]pyrimidine is FC(F)(F)c1csc(CN2CCN(c3ncnc4ccsc34)CC2)n1.
What is the InChIKey of 4-[4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]thieno[3,2-d]pyrimidine?
The InChIKey is OUSIADPQMXOLPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N5S2/c16-15(17,18)11-8-25-12(21-11)7-22-2-4-23(5-3-22)14-13-10(1-6-24-13)19-9-20-14/h1,6,8-9H,2-5,7H2.
What are the key properties of 4-[4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]thieno[3,2-d]pyrimidine?
4-[4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]thieno[3,2-d]pyrimidine has a molecular weight of 385.44 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]thieno[3,2-d]pyrimidine is sourced from PubChem (CID 171130407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).