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

C19H24F3N5S2 — CID 90453096

IUPAC4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-6-(4,4,4-trifluorobutyl)thieno[2,3-d]pyrimidine
SMILESCC1(C)CN=C(N2CCN(c3ncnc4sc(CCCC(F)(F)F)cc34)CC2)S1
InChIInChI=1S/C19H24F3N5S2/c1-18(2)11-23-17(29-18)27-8-6-26(7-9-27)15-14-10-13(4-3-5-19(20,21)22)28-16(14)25-12-24-15/h10,12H,3-9,11H2,1-2H3
InChIKeyLDQMHUYMJLCJNW-UHFFFAOYSA-N
MW443.56 g/mol
LogP4.58
Rot. Bonds4

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

4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-6-(4,4,4-trifluorobutyl)thieno[2,3-d]pyrimidine (PubChem CID 90453096) has the molecular formula C19H24F3N5S2 and a molecular weight of 443.56 g/mol. Its IUPAC name is 4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-6-(4,4,4-trifluorobutyl)thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-6-(4,4,4-trifluorobutyl)thieno[2,3-d]pyrimidine
PubChem CID90453096
Molecular FormulaC19H24F3N5S2
Molecular Weight443.56 g/mol
Exact Mass443.14
IUPAC Name4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-6-(4,4,4-trifluorobutyl)thieno[2,3-d]pyrimidine
SMILESCC1(C)CN=C(N2CCN(c3ncnc4sc(CCCC(F)(F)F)cc34)CC2)S1
InChIInChI=1S/C19H24F3N5S2/c1-18(2)11-23-17(29-18)27-8-6-26(7-9-27)15-14-10-13(4-3-5-19(20,21)22)28-16(14)25-12-24-15/h10,12H,3-9,11H2,1-2H3
InChIKeyLDQMHUYMJLCJNW-UHFFFAOYSA-N
XLogP4.58
TPSA44.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.56
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-6-(4,4,4-trifluorobutyl)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-(4,4,4-trifluorobutyl)thieno[2,3-d]pyrimidine?
The IUPAC name of 4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-6-(4,4,4-trifluorobutyl)thieno[2,3-d]pyrimidine (CID 90453096) is 4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-6-(4,4,4-trifluorobutyl)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-(4,4,4-trifluorobutyl)thieno[2,3-d]pyrimidine?
The canonical SMILES for 4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-6-(4,4,4-trifluorobutyl)thieno[2,3-d]pyrimidine is CC1(C)CN=C(N2CCN(c3ncnc4sc(CCCC(F)(F)F)cc34)CC2)S1.
What is the InChIKey of 4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-6-(4,4,4-trifluorobutyl)thieno[2,3-d]pyrimidine?
The InChIKey is LDQMHUYMJLCJNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F3N5S2/c1-18(2)11-23-17(29-18)27-8-6-26(7-9-27)15-14-10-13(4-3-5-19(20,21)22)28-16(14)25-12-24-15/h10,12H,3-9,11H2,1-2H3.
What are the key properties of 4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-6-(4,4,4-trifluorobutyl)thieno[2,3-d]pyrimidine?
4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-6-(4,4,4-trifluorobutyl)thieno[2,3-d]pyrimidine has a molecular weight of 443.56 g/mol, XLogP of 4.58, 4 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-(4,4,4-trifluorobutyl)thieno[2,3-d]pyrimidine is sourced from PubChem (CID 90453096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).