6-tert-butyl-2-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole

C17H24N6S2 — CID 133391235

IUPAC6-tert-butyl-2-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole
SMILESCc1nc(N2CCN(c3nn4cc(C(C)(C)C)nc4s3)CC2)sc1C
InChIInChI=1S/C17H24N6S2/c1-11-12(2)24-14(18-11)21-6-8-22(9-7-21)16-20-23-10-13(17(3,4)5)19-15(23)25-16/h10H,6-9H2,1-5H3
InChIKeyFBNYAQBKTBIDSL-UHFFFAOYSA-N
MW376.56 g/mol
LogP3.49
Rot. Bonds2

About 6-tert-butyl-2-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole

6-tert-butyl-2-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 133391235) has the molecular formula C17H24N6S2 and a molecular weight of 376.56 g/mol. Its IUPAC name is 6-tert-butyl-2-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-tert-butyl-2-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole
PubChem CID133391235
Molecular FormulaC17H24N6S2
Molecular Weight376.56 g/mol
Exact Mass376.15
IUPAC Name6-tert-butyl-2-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole
SMILESCc1nc(N2CCN(c3nn4cc(C(C)(C)C)nc4s3)CC2)sc1C
InChIInChI=1S/C17H24N6S2/c1-11-12(2)24-14(18-11)21-6-8-22(9-7-21)16-20-23-10-13(17(3,4)5)19-15(23)25-16/h10H,6-9H2,1-5H3
InChIKeyFBNYAQBKTBIDSL-UHFFFAOYSA-N
XLogP3.49
TPSA49.56 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.56
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 6-tert-butyl-2-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole (CID 133391235) is 6-tert-butyl-2-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-tert-butyl-2-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 6-tert-butyl-2-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole is Cc1nc(N2CCN(c3nn4cc(C(C)(C)C)nc4s3)CC2)sc1C.
What is the InChIKey of 6-tert-butyl-2-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is FBNYAQBKTBIDSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6S2/c1-11-12(2)24-14(18-11)21-6-8-22(9-7-21)16-20-23-10-13(17(3,4)5)19-15(23)25-16/h10H,6-9H2,1-5H3.
What are the key properties of 6-tert-butyl-2-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole?
6-tert-butyl-2-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 376.56 g/mol, XLogP of 3.49, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 133391235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).