2-[4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]-6-methylimidazo[2,1-b][1,3,4]thiadiazole

C16H23N7S — CID 154747883

IUPAC2-[4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]-6-methylimidazo[2,1-b][1,3,4]thiadiazole
SMILESCCn1ccnc1CN1CCN(c2nn3cc(C)nc3s2)CC1C
InChIInChI=1S/C16H23N7S/c1-4-20-6-5-17-14(20)11-21-7-8-22(10-13(21)3)16-19-23-9-12(2)18-15(23)24-16/h5-6,9,13H,4,7-8,10-11H2,1-3H3
InChIKeyZXCXARQNTPCBPJ-UHFFFAOYSA-N
MW345.48 g/mol
LogP2.03
Rot. Bonds4

About 2-[4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]-6-methylimidazo[2,1-b][1,3,4]thiadiazole

2-[4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]-6-methylimidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 154747883) has the molecular formula C16H23N7S and a molecular weight of 345.48 g/mol. Its IUPAC name is 2-[4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]-6-methylimidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name2-[4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]-6-methylimidazo[2,1-b][1,3,4]thiadiazole
PubChem CID154747883
Molecular FormulaC16H23N7S
Molecular Weight345.48 g/mol
Exact Mass345.17
IUPAC Name2-[4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]-6-methylimidazo[2,1-b][1,3,4]thiadiazole
SMILESCCn1ccnc1CN1CCN(c2nn3cc(C)nc3s2)CC1C
InChIInChI=1S/C16H23N7S/c1-4-20-6-5-17-14(20)11-21-7-8-22(10-13(21)3)16-19-23-9-12(2)18-15(23)24-16/h5-6,9,13H,4,7-8,10-11H2,1-3H3
InChIKeyZXCXARQNTPCBPJ-UHFFFAOYSA-N
XLogP2.03
TPSA54.49 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.48
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

(2S)-1-[(1-ethylimidazol-2-yl)methyl]-2-methyl-4-propylpiperazine
CID 100838868
5-[[(3R)-4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]methyl]-3-methyl-1,2-oxazole
CID 124726013
2-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-6-methylimidazo[2,1-b][1,3,4]thiadiazole
CID 94210798
1-[(1-ethylimidazol-2-yl)methyl]-2-methylpiperidine-4-carboxylic acid
CID 106744805
(2R)-1-[(1-ethylimidazol-2-yl)methyl]-2-methylpiperazine
CID 82761036
(2R)-2-methyl-4-phenyl-1-[(1-propylimidazol-2-yl)methyl]piperazine
CID 124752379
1-[4-[[4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]methyl]piperidin-1-yl]ethanone
CID 154798166
1-[(1-ethylimidazol-2-yl)methyl]-2-methylpiperidin-4-amine
CID 115313237
1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidine-3-carboxylic acid
CID 120964000
2-[(3S)-4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 95766414
4-[[4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]methyl]-3-fluorobenzonitrile
CID 154747934
(2R)-2-[[(3S)-4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]methyl]-4-methylmorpholine
CID 98768790

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]-6-methylimidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 2-[4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]-6-methylimidazo[2,1-b][1,3,4]thiadiazole (CID 154747883) is 2-[4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]-6-methylimidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 2-[4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]-6-methylimidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 2-[4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]-6-methylimidazo[2,1-b][1,3,4]thiadiazole is CCn1ccnc1CN1CCN(c2nn3cc(C)nc3s2)CC1C.
What is the InChIKey of 2-[4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]-6-methylimidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is ZXCXARQNTPCBPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N7S/c1-4-20-6-5-17-14(20)11-21-7-8-22(10-13(21)3)16-19-23-9-12(2)18-15(23)24-16/h5-6,9,13H,4,7-8,10-11H2,1-3H3.
What are the key properties of 2-[4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]-6-methylimidazo[2,1-b][1,3,4]thiadiazole?
2-[4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]-6-methylimidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 345.48 g/mol, XLogP of 2.03, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]-6-methylimidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 154747883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).