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

C15H18BrN5S2 — CID 51001388

IUPAC6-bromo-4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine
SMILESCC1(C)CN=C(N2CCN(c3ncnc4sc(Br)cc34)CC2)S1
InChIInChI=1S/C15H18BrN5S2/c1-15(2)8-17-14(23-15)21-5-3-20(4-6-21)12-10-7-11(16)22-13(10)19-9-18-12/h7,9H,3-6,8H2,1-2H3
InChIKeyMJMGSXKLOIRJBH-UHFFFAOYSA-N
MW412.38 g/mol
LogP3.46
Rot. Bonds1

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

6-bromo-4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine (PubChem CID 51001388) has the molecular formula C15H18BrN5S2 and a molecular weight of 412.38 g/mol. Its IUPAC name is 6-bromo-4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name6-bromo-4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine
PubChem CID51001388
Molecular FormulaC15H18BrN5S2
Molecular Weight412.38 g/mol
Exact Mass411.02
IUPAC Name6-bromo-4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine
SMILESCC1(C)CN=C(N2CCN(c3ncnc4sc(Br)cc34)CC2)S1
InChIInChI=1S/C15H18BrN5S2/c1-15(2)8-17-14(23-15)21-5-3-20(4-6-21)12-10-7-11(16)22-13(10)19-9-18-12/h7,9H,3-6,8H2,1-2H3
InChIKeyMJMGSXKLOIRJBH-UHFFFAOYSA-N
XLogP3.46
TPSA44.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.38
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-bromo-4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-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 6-bromo-4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine?
The IUPAC name of 6-bromo-4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine (CID 51001388) is 6-bromo-4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine.
What is the SMILES notation for 6-bromo-4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine?
The canonical SMILES for 6-bromo-4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine is CC1(C)CN=C(N2CCN(c3ncnc4sc(Br)cc34)CC2)S1.
What is the InChIKey of 6-bromo-4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine?
The InChIKey is MJMGSXKLOIRJBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN5S2/c1-15(2)8-17-14(23-15)21-5-3-20(4-6-21)12-10-7-11(16)22-13(10)19-9-18-12/h7,9H,3-6,8H2,1-2H3.
What are the key properties of 6-bromo-4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine?
6-bromo-4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine has a molecular weight of 412.38 g/mol, XLogP of 3.46, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine is sourced from PubChem (CID 51001388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).