2-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-6-methylimidazo[2,1-b][1,3,4]thiadiazole

C15H20N6S2 — CID 56819543

IUPAC2-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-6-methylimidazo[2,1-b][1,3,4]thiadiazole
SMILESCCc1nc(CN2CCN(c3nn4cc(C)nc4s3)CC2)cs1
InChIInChI=1S/C15H20N6S2/c1-3-13-17-12(10-22-13)9-19-4-6-20(7-5-19)15-18-21-8-11(2)16-14(21)23-15/h8,10H,3-7,9H2,1-2H3
InChIKeyJFVDMBKFCHPQGY-UHFFFAOYSA-N
MW348.50 g/mol
LogP2.44
Rot. Bonds4

About 2-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-6-methylimidazo[2,1-b][1,3,4]thiadiazole

2-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-6-methylimidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 56819543) has the molecular formula C15H20N6S2 and a molecular weight of 348.50 g/mol. Its IUPAC name is 2-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-6-methylimidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name2-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-6-methylimidazo[2,1-b][1,3,4]thiadiazole
PubChem CID56819543
Molecular FormulaC15H20N6S2
Molecular Weight348.50 g/mol
Exact Mass348.12
IUPAC Name2-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-6-methylimidazo[2,1-b][1,3,4]thiadiazole
SMILESCCc1nc(CN2CCN(c3nn4cc(C)nc4s3)CC2)cs1
InChIInChI=1S/C15H20N6S2/c1-3-13-17-12(10-22-13)9-19-4-6-20(7-5-19)15-18-21-8-11(2)16-14(21)23-15/h8,10H,3-7,9H2,1-2H3
InChIKeyJFVDMBKFCHPQGY-UHFFFAOYSA-N
XLogP2.44
TPSA49.56 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.50
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-6-methylimidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 2-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-6-methylimidazo[2,1-b][1,3,4]thiadiazole (CID 56819543) is 2-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-6-methylimidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 2-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-6-methylimidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 2-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-6-methylimidazo[2,1-b][1,3,4]thiadiazole is CCc1nc(CN2CCN(c3nn4cc(C)nc4s3)CC2)cs1.
What is the InChIKey of 2-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-6-methylimidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is JFVDMBKFCHPQGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6S2/c1-3-13-17-12(10-22-13)9-19-4-6-20(7-5-19)15-18-21-8-11(2)16-14(21)23-15/h8,10H,3-7,9H2,1-2H3.
What are the key properties of 2-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-6-methylimidazo[2,1-b][1,3,4]thiadiazole?
2-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-6-methylimidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 348.50 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-6-methylimidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 56819543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).