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

C17H22N6S2 — CID 90453137

IUPAC6-butyl-4-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine
SMILESCCCCc1cc2c(N3CCN(c4nnc(C)s4)CC3)ncnc2s1
InChIInChI=1S/C17H22N6S2/c1-3-4-5-13-10-14-15(18-11-19-16(14)25-13)22-6-8-23(9-7-22)17-21-20-12(2)24-17/h10-11H,3-9H2,1-2H3
InChIKeyUNMXFVDVWBLCIP-UHFFFAOYSA-N
MW374.54 g/mol
LogP3.52
Rot. Bonds5

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

6-butyl-4-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine (PubChem CID 90453137) has the molecular formula C17H22N6S2 and a molecular weight of 374.54 g/mol. Its IUPAC name is 6-butyl-4-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name6-butyl-4-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine
PubChem CID90453137
Molecular FormulaC17H22N6S2
Molecular Weight374.54 g/mol
Exact Mass374.13
IUPAC Name6-butyl-4-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine
SMILESCCCCc1cc2c(N3CCN(c4nnc(C)s4)CC3)ncnc2s1
InChIInChI=1S/C17H22N6S2/c1-3-4-5-13-10-14-15(18-11-19-16(14)25-13)22-6-8-23(9-7-22)17-21-20-12(2)24-17/h10-11H,3-9H2,1-2H3
InChIKeyUNMXFVDVWBLCIP-UHFFFAOYSA-N
XLogP3.52
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.54
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 6-butyl-4-[4-(5-methyl-1,3,4-thiadiazol-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-butyl-4-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine?
The IUPAC name of 6-butyl-4-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine (CID 90453137) is 6-butyl-4-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine.
What is the SMILES notation for 6-butyl-4-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine?
The canonical SMILES for 6-butyl-4-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine is CCCCc1cc2c(N3CCN(c4nnc(C)s4)CC3)ncnc2s1.
What is the InChIKey of 6-butyl-4-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine?
The InChIKey is UNMXFVDVWBLCIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6S2/c1-3-4-5-13-10-14-15(18-11-19-16(14)25-13)22-6-8-23(9-7-22)17-21-20-12(2)24-17/h10-11H,3-9H2,1-2H3.
What are the key properties of 6-butyl-4-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine?
6-butyl-4-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine has a molecular weight of 374.54 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butyl-4-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine is sourced from PubChem (CID 90453137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).