2-bromo-5-(4-ethyl-3-methylpiperazin-1-yl)-1,3,4-thiadiazole

C9H15BrN4S — CID 64622454

IUPAC2-bromo-5-(4-ethyl-3-methylpiperazin-1-yl)-1,3,4-thiadiazole
SMILESCCN1CCN(c2nnc(Br)s2)CC1C
InChIInChI=1S/C9H15BrN4S/c1-3-13-4-5-14(6-7(13)2)9-12-11-8(10)15-9/h7H,3-6H2,1-2H3
InChIKeyJKFZVCYFORXTDS-UHFFFAOYSA-N
MW291.22 g/mol
LogP1.83
Rot. Bonds2

About 2-bromo-5-(4-ethyl-3-methylpiperazin-1-yl)-1,3,4-thiadiazole

2-bromo-5-(4-ethyl-3-methylpiperazin-1-yl)-1,3,4-thiadiazole (PubChem CID 64622454) has the molecular formula C9H15BrN4S and a molecular weight of 291.22 g/mol. Its IUPAC name is 2-bromo-5-(4-ethyl-3-methylpiperazin-1-yl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-bromo-5-(4-ethyl-3-methylpiperazin-1-yl)-1,3,4-thiadiazole
PubChem CID64622454
Molecular FormulaC9H15BrN4S
Molecular Weight291.22 g/mol
Exact Mass290.02
IUPAC Name2-bromo-5-(4-ethyl-3-methylpiperazin-1-yl)-1,3,4-thiadiazole
SMILESCCN1CCN(c2nnc(Br)s2)CC1C
InChIInChI=1S/C9H15BrN4S/c1-3-13-4-5-14(6-7(13)2)9-12-11-8(10)15-9/h7H,3-6H2,1-2H3
InChIKeyJKFZVCYFORXTDS-UHFFFAOYSA-N
XLogP1.83
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.22
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-ethyl-3-methylpiperazin-1-yl)-4-methyl-1,3-thiazole-5-carbaldehyde
CID 63621380
N-[[2-(4-ethyl-3-methylpiperazin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 55215655
5-acetyl-2-(4-ethyl-3-methylpiperazin-1-yl)-1,3-thiazole-4-carboxylic acid
CID 106697602
1-[4-ethyl-2-(4-ethyl-3-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 63621900
4-(chloromethyl)-2-(4-ethyl-3-methylpiperazin-1-yl)-1,3-thiazole
CID 63635882
2-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-5-propan-2-yl-1,3,4-thiadiazole
CID 133431393
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-bromo-1,3,4-thiadiazole
CID 79003212
1-[2-(4-ethyl-3-methylpiperazin-1-yl)-1,3-thiazol-4-yl]-N-methylethanamine
CID 64543583
2-bromo-5-(3-propoxypiperidin-1-yl)-1,3,4-thiadiazole
CID 64624316
2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-5-bromo-1,3,4-thiadiazole
CID 64623500
methyl 2-(4-ethyl-3-methylpiperazin-1-yl)-1,3-thiazole-4-carboxylate
CID 113307122
N-[[2-(4-ethyl-3-methylpiperazin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 107510387

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(4-ethyl-3-methylpiperazin-1-yl)-1,3,4-thiadiazole?
The IUPAC name of 2-bromo-5-(4-ethyl-3-methylpiperazin-1-yl)-1,3,4-thiadiazole (CID 64622454) is 2-bromo-5-(4-ethyl-3-methylpiperazin-1-yl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-bromo-5-(4-ethyl-3-methylpiperazin-1-yl)-1,3,4-thiadiazole?
The canonical SMILES for 2-bromo-5-(4-ethyl-3-methylpiperazin-1-yl)-1,3,4-thiadiazole is CCN1CCN(c2nnc(Br)s2)CC1C.
What is the InChIKey of 2-bromo-5-(4-ethyl-3-methylpiperazin-1-yl)-1,3,4-thiadiazole?
The InChIKey is JKFZVCYFORXTDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15BrN4S/c1-3-13-4-5-14(6-7(13)2)9-12-11-8(10)15-9/h7H,3-6H2,1-2H3.
What are the key properties of 2-bromo-5-(4-ethyl-3-methylpiperazin-1-yl)-1,3,4-thiadiazole?
2-bromo-5-(4-ethyl-3-methylpiperazin-1-yl)-1,3,4-thiadiazole has a molecular weight of 291.22 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(4-ethyl-3-methylpiperazin-1-yl)-1,3,4-thiadiazole is sourced from PubChem (CID 64622454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).