5-[(5-ethyl-1H-imidazol-2-yl)sulfanyl]-3-(2-methylpropyl)-1,2,4-thiadiazole

C11H16N4S2 — CID 133492668

IUPAC5-[(5-ethyl-1H-imidazol-2-yl)sulfanyl]-3-(2-methylpropyl)-1,2,4-thiadiazole
SMILESCCc1cnc(Sc2nc(CC(C)C)ns2)[nH]1
InChIInChI=1S/C11H16N4S2/c1-4-8-6-12-10(13-8)16-11-14-9(15-17-11)5-7(2)3/h6-7H,4-5H2,1-3H3,(H,12,13)
InChIKeyLJPJTUGOTWEVGG-UHFFFAOYSA-N
MW268.41 g/mol
LogP3.17
Rot. Bonds5

About 5-[(5-ethyl-1H-imidazol-2-yl)sulfanyl]-3-(2-methylpropyl)-1,2,4-thiadiazole

5-[(5-ethyl-1H-imidazol-2-yl)sulfanyl]-3-(2-methylpropyl)-1,2,4-thiadiazole (PubChem CID 133492668) has the molecular formula C11H16N4S2 and a molecular weight of 268.41 g/mol. Its IUPAC name is 5-[(5-ethyl-1H-imidazol-2-yl)sulfanyl]-3-(2-methylpropyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-[(5-ethyl-1H-imidazol-2-yl)sulfanyl]-3-(2-methylpropyl)-1,2,4-thiadiazole
PubChem CID133492668
Molecular FormulaC11H16N4S2
Molecular Weight268.41 g/mol
Exact Mass268.08
IUPAC Name5-[(5-ethyl-1H-imidazol-2-yl)sulfanyl]-3-(2-methylpropyl)-1,2,4-thiadiazole
SMILESCCc1cnc(Sc2nc(CC(C)C)ns2)[nH]1
InChIInChI=1S/C11H16N4S2/c1-4-8-6-12-10(13-8)16-11-14-9(15-17-11)5-7(2)3/h6-7H,4-5H2,1-3H3,(H,12,13)
InChIKeyLJPJTUGOTWEVGG-UHFFFAOYSA-N
XLogP3.17
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.41
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-ethyl-2-(2-methylpropyl)-1H-imidazole
CID 70669339
5-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyrazin-2-amine
CID 80663619
2-[[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]sulfanyl]propan-1-ol
CID 133484868
5-ethyl-2-prop-2-ynylsulfanyl-1H-imidazole
CID 130695722
(2R)-1-[(5-ethyl-1H-imidazol-2-yl)sulfanyl]propan-2-ol
CID 100726062
5-[(3-bromo-4-pyridinyl)sulfanyl]-3-ethyl-1,2,4-thiadiazole
CID 104779107
4-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyridin-3-amine
CID 65275072
(1R)-1-[2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-3-pyridinyl]ethanol
CID 114057189
5-ethyl-2-propan-2-yl-1H-imidazole;molecular hydrogen
CID 169266743
3-(2-methylpropyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-thiadiazol-5-amine
CID 133484381
N-[[5-chloro-2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenyl]methyl]propan-2-amine
CID 114865103
6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyridine-3-carbaldehyde
CID 80639652

Frequently Asked Questions

What is the IUPAC name of 5-[(5-ethyl-1H-imidazol-2-yl)sulfanyl]-3-(2-methylpropyl)-1,2,4-thiadiazole?
The IUPAC name of 5-[(5-ethyl-1H-imidazol-2-yl)sulfanyl]-3-(2-methylpropyl)-1,2,4-thiadiazole (CID 133492668) is 5-[(5-ethyl-1H-imidazol-2-yl)sulfanyl]-3-(2-methylpropyl)-1,2,4-thiadiazole.
What is the SMILES notation for 5-[(5-ethyl-1H-imidazol-2-yl)sulfanyl]-3-(2-methylpropyl)-1,2,4-thiadiazole?
The canonical SMILES for 5-[(5-ethyl-1H-imidazol-2-yl)sulfanyl]-3-(2-methylpropyl)-1,2,4-thiadiazole is CCc1cnc(Sc2nc(CC(C)C)ns2)[nH]1.
What is the InChIKey of 5-[(5-ethyl-1H-imidazol-2-yl)sulfanyl]-3-(2-methylpropyl)-1,2,4-thiadiazole?
The InChIKey is LJPJTUGOTWEVGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4S2/c1-4-8-6-12-10(13-8)16-11-14-9(15-17-11)5-7(2)3/h6-7H,4-5H2,1-3H3,(H,12,13).
What are the key properties of 5-[(5-ethyl-1H-imidazol-2-yl)sulfanyl]-3-(2-methylpropyl)-1,2,4-thiadiazole?
5-[(5-ethyl-1H-imidazol-2-yl)sulfanyl]-3-(2-methylpropyl)-1,2,4-thiadiazole has a molecular weight of 268.41 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-ethyl-1H-imidazol-2-yl)sulfanyl]-3-(2-methylpropyl)-1,2,4-thiadiazole is sourced from PubChem (CID 133492668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).