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

C16H17F3N6S2 — CID 86298079

IUPAC6-propyl-4-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]thieno[2,3-d]pyrimidine
SMILESCCCc1cc2c(N3CCN(c4nnc(C(F)(F)F)s4)CC3)ncnc2s1
InChIInChI=1S/C16H17F3N6S2/c1-2-3-10-8-11-12(20-9-21-13(11)26-10)24-4-6-25(7-5-24)15-23-22-14(27-15)16(17,18)19/h8-9H,2-7H2,1H3
InChIKeyFKUKOLIMTPBZQB-UHFFFAOYSA-N
MW414.48 g/mol
LogP3.84
Rot. Bonds4

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

6-propyl-4-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]thieno[2,3-d]pyrimidine (PubChem CID 86298079) has the molecular formula C16H17F3N6S2 and a molecular weight of 414.48 g/mol. Its IUPAC name is 6-propyl-4-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name6-propyl-4-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]thieno[2,3-d]pyrimidine
PubChem CID86298079
Molecular FormulaC16H17F3N6S2
Molecular Weight414.48 g/mol
Exact Mass414.09
IUPAC Name6-propyl-4-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]thieno[2,3-d]pyrimidine
SMILESCCCc1cc2c(N3CCN(c4nnc(C(F)(F)F)s4)CC3)ncnc2s1
InChIInChI=1S/C16H17F3N6S2/c1-2-3-10-8-11-12(20-9-21-13(11)26-10)24-4-6-25(7-5-24)15-23-22-14(27-15)16(17,18)19/h8-9H,2-7H2,1H3
InChIKeyFKUKOLIMTPBZQB-UHFFFAOYSA-N
XLogP3.84
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.48
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-propyl-4-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]thieno[2,3-d]pyrimidine?
The IUPAC name of 6-propyl-4-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]thieno[2,3-d]pyrimidine (CID 86298079) is 6-propyl-4-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]thieno[2,3-d]pyrimidine.
What is the SMILES notation for 6-propyl-4-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]thieno[2,3-d]pyrimidine?
The canonical SMILES for 6-propyl-4-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]thieno[2,3-d]pyrimidine is CCCc1cc2c(N3CCN(c4nnc(C(F)(F)F)s4)CC3)ncnc2s1.
What is the InChIKey of 6-propyl-4-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]thieno[2,3-d]pyrimidine?
The InChIKey is FKUKOLIMTPBZQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N6S2/c1-2-3-10-8-11-12(20-9-21-13(11)26-10)24-4-6-25(7-5-24)15-23-22-14(27-15)16(17,18)19/h8-9H,2-7H2,1H3.
What are the key properties of 6-propyl-4-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]thieno[2,3-d]pyrimidine?
6-propyl-4-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]thieno[2,3-d]pyrimidine has a molecular weight of 414.48 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propyl-4-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]thieno[2,3-d]pyrimidine is sourced from PubChem (CID 86298079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).