1-[4-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-3-methylpiperazin-1-yl]-2-methylpropan-2-ol

C17H29N5OS — CID 133486539

IUPAC1-[4-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-3-methylpiperazin-1-yl]-2-methylpropan-2-ol
SMILESCC1CN(CC(C)(C)O)CCN1c1nn2cc(C(C)(C)C)nc2s1
InChIInChI=1S/C17H29N5OS/c1-12-9-20(11-17(5,6)23)7-8-21(12)15-19-22-10-13(16(2,3)4)18-14(22)24-15/h10,12,23H,7-9,11H2,1-6H3
InChIKeySNRRNCYLVRPXRI-UHFFFAOYSA-N
MW351.52 g/mol
LogP2.37
Rot. Bonds3

About 1-[4-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-3-methylpiperazin-1-yl]-2-methylpropan-2-ol

1-[4-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-3-methylpiperazin-1-yl]-2-methylpropan-2-ol (PubChem CID 133486539) has the molecular formula C17H29N5OS and a molecular weight of 351.52 g/mol. Its IUPAC name is 1-[4-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-3-methylpiperazin-1-yl]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[4-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-3-methylpiperazin-1-yl]-2-methylpropan-2-ol
PubChem CID133486539
Molecular FormulaC17H29N5OS
Molecular Weight351.52 g/mol
Exact Mass351.21
IUPAC Name1-[4-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-3-methylpiperazin-1-yl]-2-methylpropan-2-ol
SMILESCC1CN(CC(C)(C)O)CCN1c1nn2cc(C(C)(C)C)nc2s1
InChIInChI=1S/C17H29N5OS/c1-12-9-20(11-17(5,6)23)7-8-21(12)15-19-22-10-13(16(2,3)4)18-14(22)24-15/h10,12,23H,7-9,11H2,1-6H3
InChIKeySNRRNCYLVRPXRI-UHFFFAOYSA-N
XLogP2.37
TPSA56.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.52
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-3-methylpiperazin-1-yl]-2-methylpropan-2-ol?
The IUPAC name of 1-[4-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-3-methylpiperazin-1-yl]-2-methylpropan-2-ol (CID 133486539) is 1-[4-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-3-methylpiperazin-1-yl]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[4-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-3-methylpiperazin-1-yl]-2-methylpropan-2-ol?
The canonical SMILES for 1-[4-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-3-methylpiperazin-1-yl]-2-methylpropan-2-ol is CC1CN(CC(C)(C)O)CCN1c1nn2cc(C(C)(C)C)nc2s1.
What is the InChIKey of 1-[4-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-3-methylpiperazin-1-yl]-2-methylpropan-2-ol?
The InChIKey is SNRRNCYLVRPXRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5OS/c1-12-9-20(11-17(5,6)23)7-8-21(12)15-19-22-10-13(16(2,3)4)18-14(22)24-15/h10,12,23H,7-9,11H2,1-6H3.
What are the key properties of 1-[4-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-3-methylpiperazin-1-yl]-2-methylpropan-2-ol?
1-[4-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-3-methylpiperazin-1-yl]-2-methylpropan-2-ol has a molecular weight of 351.52 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-3-methylpiperazin-1-yl]-2-methylpropan-2-ol is sourced from PubChem (CID 133486539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).