6-tert-butyl-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole

C17H23N5S2 — CID 31046288

IUPAC6-tert-butyl-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole
SMILESCC(C)(C)c1cn2nc(N3CCN(Cc4ccsc4)CC3)sc2n1
InChIInChI=1S/C17H23N5S2/c1-17(2,3)14-11-22-15(18-14)24-16(19-22)21-7-5-20(6-8-21)10-13-4-9-23-12-13/h4,9,11-12H,5-8,10H2,1-3H3
InChIKeyHIKRPKPILZWYCN-UHFFFAOYSA-N
MW361.54 g/mol
LogP3.47
Rot. Bonds3

About 6-tert-butyl-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole

6-tert-butyl-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 31046288) has the molecular formula C17H23N5S2 and a molecular weight of 361.54 g/mol. Its IUPAC name is 6-tert-butyl-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-tert-butyl-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole
PubChem CID31046288
Molecular FormulaC17H23N5S2
Molecular Weight361.54 g/mol
Exact Mass361.14
IUPAC Name6-tert-butyl-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole
SMILESCC(C)(C)c1cn2nc(N3CCN(Cc4ccsc4)CC3)sc2n1
InChIInChI=1S/C17H23N5S2/c1-17(2,3)14-11-22-15(18-14)24-16(19-22)21-7-5-20(6-8-21)10-13-4-9-23-12-13/h4,9,11-12H,5-8,10H2,1-3H3
InChIKeyHIKRPKPILZWYCN-UHFFFAOYSA-N
XLogP3.47
TPSA36.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.54
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 6-tert-butyl-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole (CID 31046288) is 6-tert-butyl-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-tert-butyl-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 6-tert-butyl-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole is CC(C)(C)c1cn2nc(N3CCN(Cc4ccsc4)CC3)sc2n1.
What is the InChIKey of 6-tert-butyl-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is HIKRPKPILZWYCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5S2/c1-17(2,3)14-11-22-15(18-14)24-16(19-22)21-7-5-20(6-8-21)10-13-4-9-23-12-13/h4,9,11-12H,5-8,10H2,1-3H3.
What are the key properties of 6-tert-butyl-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole?
6-tert-butyl-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 361.54 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 31046288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).