5-[(3R)-3-methylpiperazin-1-yl]-1,2,4-thiadiazole

C7H12N4S — CID 104976155

IUPAC5-[(3R)-3-methylpiperazin-1-yl]-1,2,4-thiadiazole
SMILESC[C@@H]1CN(c2ncns2)CCN1
InChIInChI=1S/C7H12N4S/c1-6-4-11(3-2-8-6)7-9-5-10-12-7/h5-6,8H,2-4H2,1H3/t6-/m1/s1
InChIKeySOVZSLKCOOGKAT-ZCFIWIBFSA-N
MW184.27 g/mol
LogP0.34
Rot. Bonds1

About 5-[(3R)-3-methylpiperazin-1-yl]-1,2,4-thiadiazole

5-[(3R)-3-methylpiperazin-1-yl]-1,2,4-thiadiazole (PubChem CID 104976155) has the molecular formula C7H12N4S and a molecular weight of 184.27 g/mol. Its IUPAC name is 5-[(3R)-3-methylpiperazin-1-yl]-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-[(3R)-3-methylpiperazin-1-yl]-1,2,4-thiadiazole
PubChem CID104976155
Molecular FormulaC7H12N4S
Molecular Weight184.27 g/mol
Exact Mass184.08
IUPAC Name5-[(3R)-3-methylpiperazin-1-yl]-1,2,4-thiadiazole
SMILESC[C@@H]1CN(c2ncns2)CCN1
InChIInChI=1S/C7H12N4S/c1-6-4-11(3-2-8-6)7-9-5-10-12-7/h5-6,8H,2-4H2,1H3/t6-/m1/s1
InChIKeySOVZSLKCOOGKAT-ZCFIWIBFSA-N
XLogP0.34
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.27
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-4-(1,2,4-thiadiazol-5-yl)thiomorpholine
CID 131132017
(3S,4R)-1-(1,2,4-thiadiazol-5-yl)pyrrolidine-3,4-diol
CID 130742356
2-methyl-5-(3-methylpiperazin-1-yl)-1,3,4-thiadiazole
CID 65209428
4-(1,2,4-thiadiazol-5-yl)piperazin-2-one
CID 130692977
4-methyl-2-(3-methylpiperazin-1-yl)-1,3-thiazole
CID 62480503
5-[3-(chloromethyl)pyrrolidin-1-yl]-1,2,4-thiadiazole
CID 65277809
4-ethyl-2-[(3S)-3-methylpiperazin-1-yl]-1,3-thiazole
CID 94905443
[1-(1,2,4-thiadiazol-5-yl)piperidin-3-yl]methanol
CID 65275221
5-methyl-2-[(3S)-3-methylpiperazin-1-yl]pyrimidine
CID 104977378
5-(3-methylpiperazin-1-yl)-3-propyl-1,2,4-thiadiazole
CID 65271904
2-[(3S)-3-methylpiperazin-1-yl]-1,3-benzothiazole
CID 94450634
5-(4-bromo-3,3-dimethylpyrrolidin-1-yl)-1,2,4-thiadiazole
CID 127008865

Frequently Asked Questions

What is the IUPAC name of 5-[(3R)-3-methylpiperazin-1-yl]-1,2,4-thiadiazole?
The IUPAC name of 5-[(3R)-3-methylpiperazin-1-yl]-1,2,4-thiadiazole (CID 104976155) is 5-[(3R)-3-methylpiperazin-1-yl]-1,2,4-thiadiazole.
What is the SMILES notation for 5-[(3R)-3-methylpiperazin-1-yl]-1,2,4-thiadiazole?
The canonical SMILES for 5-[(3R)-3-methylpiperazin-1-yl]-1,2,4-thiadiazole is C[C@@H]1CN(c2ncns2)CCN1.
What is the InChIKey of 5-[(3R)-3-methylpiperazin-1-yl]-1,2,4-thiadiazole?
The InChIKey is SOVZSLKCOOGKAT-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H12N4S/c1-6-4-11(3-2-8-6)7-9-5-10-12-7/h5-6,8H,2-4H2,1H3/t6-/m1/s1.
What are the key properties of 5-[(3R)-3-methylpiperazin-1-yl]-1,2,4-thiadiazole?
5-[(3R)-3-methylpiperazin-1-yl]-1,2,4-thiadiazole has a molecular weight of 184.27 g/mol, XLogP of 0.34, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3R)-3-methylpiperazin-1-yl]-1,2,4-thiadiazole is sourced from PubChem (CID 104976155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).