4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-6-(1,1,1-trifluoropropan-2-yl)thieno[2,3-d]pyrimidine

C18H22F3N5S2 — CID 86298082

IUPAC4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-6-(1,1,1-trifluoropropan-2-yl)thieno[2,3-d]pyrimidine
SMILESCC(c1cc2c(N3CCN(C4=NCC(C)(C)S4)CC3)ncnc2s1)C(F)(F)F
InChIInChI=1S/C18H22F3N5S2/c1-11(18(19,20)21)13-8-12-14(23-10-24-15(12)27-13)25-4-6-26(7-5-25)16-22-9-17(2,3)28-16/h8,10-11H,4-7,9H2,1-3H3
InChIKeyCONURMHQMUEEDI-UHFFFAOYSA-N
MW429.54 g/mol
LogP4.36
Rot. Bonds2

About 4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-6-(1,1,1-trifluoropropan-2-yl)thieno[2,3-d]pyrimidine

4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-6-(1,1,1-trifluoropropan-2-yl)thieno[2,3-d]pyrimidine (PubChem CID 86298082) has the molecular formula C18H22F3N5S2 and a molecular weight of 429.54 g/mol. Its IUPAC name is 4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-6-(1,1,1-trifluoropropan-2-yl)thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-6-(1,1,1-trifluoropropan-2-yl)thieno[2,3-d]pyrimidine
PubChem CID86298082
Molecular FormulaC18H22F3N5S2
Molecular Weight429.54 g/mol
Exact Mass429.13
IUPAC Name4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-6-(1,1,1-trifluoropropan-2-yl)thieno[2,3-d]pyrimidine
SMILESCC(c1cc2c(N3CCN(C4=NCC(C)(C)S4)CC3)ncnc2s1)C(F)(F)F
InChIInChI=1S/C18H22F3N5S2/c1-11(18(19,20)21)13-8-12-14(23-10-24-15(12)27-13)25-4-6-26(7-5-25)16-22-9-17(2,3)28-16/h8,10-11H,4-7,9H2,1-3H3
InChIKeyCONURMHQMUEEDI-UHFFFAOYSA-N
XLogP4.36
TPSA44.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.54
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-6-(1,1,1-trifluoropropan-2-yl)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-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-6-(1,1,1-trifluoropropan-2-yl)thieno[2,3-d]pyrimidine?
The IUPAC name of 4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-6-(1,1,1-trifluoropropan-2-yl)thieno[2,3-d]pyrimidine (CID 86298082) is 4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-6-(1,1,1-trifluoropropan-2-yl)thieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-6-(1,1,1-trifluoropropan-2-yl)thieno[2,3-d]pyrimidine?
The canonical SMILES for 4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-6-(1,1,1-trifluoropropan-2-yl)thieno[2,3-d]pyrimidine is CC(c1cc2c(N3CCN(C4=NCC(C)(C)S4)CC3)ncnc2s1)C(F)(F)F.
What is the InChIKey of 4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-6-(1,1,1-trifluoropropan-2-yl)thieno[2,3-d]pyrimidine?
The InChIKey is CONURMHQMUEEDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F3N5S2/c1-11(18(19,20)21)13-8-12-14(23-10-24-15(12)27-13)25-4-6-26(7-5-25)16-22-9-17(2,3)28-16/h8,10-11H,4-7,9H2,1-3H3.
What are the key properties of 4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-6-(1,1,1-trifluoropropan-2-yl)thieno[2,3-d]pyrimidine?
4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-6-(1,1,1-trifluoropropan-2-yl)thieno[2,3-d]pyrimidine has a molecular weight of 429.54 g/mol, XLogP of 4.36, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-6-(1,1,1-trifluoropropan-2-yl)thieno[2,3-d]pyrimidine is sourced from PubChem (CID 86298082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).