6-propan-2-yl-4-[4-[5-(trifluoromethyl)-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]thieno[2,3-d]pyrimidine

C17H20F3N5S2 — CID 118880989

IUPAC6-propan-2-yl-4-[4-[5-(trifluoromethyl)-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]thieno[2,3-d]pyrimidine
SMILESCC(C)c1cc2c(N3CCN(C4=NCC(C(F)(F)F)S4)CC3)ncnc2s1
InChIInChI=1S/C17H20F3N5S2/c1-10(2)12-7-11-14(22-9-23-15(11)26-12)24-3-5-25(6-4-24)16-21-8-13(27-16)17(18,19)20/h7,9-10,13H,3-6,8H2,1-2H3
InChIKeyZTRYTDRHYCMFDJ-UHFFFAOYSA-N
MW415.51 g/mol
LogP3.97
Rot. Bonds2

About 6-propan-2-yl-4-[4-[5-(trifluoromethyl)-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]thieno[2,3-d]pyrimidine

6-propan-2-yl-4-[4-[5-(trifluoromethyl)-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]thieno[2,3-d]pyrimidine (PubChem CID 118880989) has the molecular formula C17H20F3N5S2 and a molecular weight of 415.51 g/mol. Its IUPAC name is 6-propan-2-yl-4-[4-[5-(trifluoromethyl)-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name6-propan-2-yl-4-[4-[5-(trifluoromethyl)-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]thieno[2,3-d]pyrimidine
PubChem CID118880989
Molecular FormulaC17H20F3N5S2
Molecular Weight415.51 g/mol
Exact Mass415.11
IUPAC Name6-propan-2-yl-4-[4-[5-(trifluoromethyl)-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]thieno[2,3-d]pyrimidine
SMILESCC(C)c1cc2c(N3CCN(C4=NCC(C(F)(F)F)S4)CC3)ncnc2s1
InChIInChI=1S/C17H20F3N5S2/c1-10(2)12-7-11-14(22-9-23-15(11)26-12)24-3-5-25(6-4-24)16-21-8-13(27-16)17(18,19)20/h7,9-10,13H,3-6,8H2,1-2H3
InChIKeyZTRYTDRHYCMFDJ-UHFFFAOYSA-N
XLogP3.97
TPSA44.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.51
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yl-4-[4-[5-(trifluoromethyl)-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]thieno[2,3-d]pyrimidine?
The IUPAC name of 6-propan-2-yl-4-[4-[5-(trifluoromethyl)-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]thieno[2,3-d]pyrimidine (CID 118880989) is 6-propan-2-yl-4-[4-[5-(trifluoromethyl)-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]thieno[2,3-d]pyrimidine.
What is the SMILES notation for 6-propan-2-yl-4-[4-[5-(trifluoromethyl)-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]thieno[2,3-d]pyrimidine?
The canonical SMILES for 6-propan-2-yl-4-[4-[5-(trifluoromethyl)-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]thieno[2,3-d]pyrimidine is CC(C)c1cc2c(N3CCN(C4=NCC(C(F)(F)F)S4)CC3)ncnc2s1.
What is the InChIKey of 6-propan-2-yl-4-[4-[5-(trifluoromethyl)-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]thieno[2,3-d]pyrimidine?
The InChIKey is ZTRYTDRHYCMFDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N5S2/c1-10(2)12-7-11-14(22-9-23-15(11)26-12)24-3-5-25(6-4-24)16-21-8-13(27-16)17(18,19)20/h7,9-10,13H,3-6,8H2,1-2H3.
What are the key properties of 6-propan-2-yl-4-[4-[5-(trifluoromethyl)-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]thieno[2,3-d]pyrimidine?
6-propan-2-yl-4-[4-[5-(trifluoromethyl)-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]thieno[2,3-d]pyrimidine has a molecular weight of 415.51 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-4-[4-[5-(trifluoromethyl)-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]thieno[2,3-d]pyrimidine is sourced from PubChem (CID 118880989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).