3-methyl-5-(4-prop-2-ynylpiperazin-1-yl)-1,2,4-thiadiazole

C10H14N4S — CID 133345090

IUPAC3-methyl-5-(4-prop-2-ynylpiperazin-1-yl)-1,2,4-thiadiazole
SMILESC#CCN1CCN(c2nc(C)ns2)CC1
InChIInChI=1S/C10H14N4S/c1-3-4-13-5-7-14(8-6-13)10-11-9(2)12-15-10/h1H,4-8H2,2H3
InChIKeyVOJPFDMNLNHRDL-UHFFFAOYSA-N
MW222.32 g/mol
LogP0.60
Rot. Bonds2

About 3-methyl-5-(4-prop-2-ynylpiperazin-1-yl)-1,2,4-thiadiazole

3-methyl-5-(4-prop-2-ynylpiperazin-1-yl)-1,2,4-thiadiazole (PubChem CID 133345090) has the molecular formula C10H14N4S and a molecular weight of 222.32 g/mol. Its IUPAC name is 3-methyl-5-(4-prop-2-ynylpiperazin-1-yl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-methyl-5-(4-prop-2-ynylpiperazin-1-yl)-1,2,4-thiadiazole
PubChem CID133345090
Molecular FormulaC10H14N4S
Molecular Weight222.32 g/mol
Exact Mass222.09
IUPAC Name3-methyl-5-(4-prop-2-ynylpiperazin-1-yl)-1,2,4-thiadiazole
SMILESC#CCN1CCN(c2nc(C)ns2)CC1
InChIInChI=1S/C10H14N4S/c1-3-4-13-5-7-14(8-6-13)10-11-9(2)12-15-10/h1H,4-8H2,2H3
InChIKeyVOJPFDMNLNHRDL-UHFFFAOYSA-N
XLogP0.60
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.32
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

5-[4-(2-chloroethyl)-1,4-diazepan-1-yl]-3-methyl-1,2,4-thiadiazole
CID 65273172
2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanethioamide
CID 65268198
5-chloro-4-[[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methyl]thiadiazole
CID 71925308
5-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-3-methyl-1,2,4-thiadiazole
CID 133334882
1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone
CID 133328044
3-methyl-5-[4-[2-(3-methylbutoxy)ethyl]piperazin-1-yl]-1,2,4-thiadiazole
CID 71855775
2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]butanenitrile
CID 65267907
5-[4-(fluoromethyl)piperidin-1-yl]-3-methyl-1,2,4-thiadiazole
CID 126790732
1,4,7-tris(prop-2-ynyl)-1,4,7-triazonane
CID 90277190
N-(3-methoxypropyl)-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]acetamide
CID 167935801
5-(4-chloroazepan-1-yl)-3-methyl-1,2,4-thiadiazole
CID 127004433
3-methyl-5-[4-[(3-methylpyrrolidin-3-yl)methyl]-1,4-diazepan-1-yl]-1,2,4-thiadiazole;hydrochloride
CID 120901233

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(4-prop-2-ynylpiperazin-1-yl)-1,2,4-thiadiazole?
The IUPAC name of 3-methyl-5-(4-prop-2-ynylpiperazin-1-yl)-1,2,4-thiadiazole (CID 133345090) is 3-methyl-5-(4-prop-2-ynylpiperazin-1-yl)-1,2,4-thiadiazole.
What is the SMILES notation for 3-methyl-5-(4-prop-2-ynylpiperazin-1-yl)-1,2,4-thiadiazole?
The canonical SMILES for 3-methyl-5-(4-prop-2-ynylpiperazin-1-yl)-1,2,4-thiadiazole is C#CCN1CCN(c2nc(C)ns2)CC1.
What is the InChIKey of 3-methyl-5-(4-prop-2-ynylpiperazin-1-yl)-1,2,4-thiadiazole?
The InChIKey is VOJPFDMNLNHRDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4S/c1-3-4-13-5-7-14(8-6-13)10-11-9(2)12-15-10/h1H,4-8H2,2H3.
What are the key properties of 3-methyl-5-(4-prop-2-ynylpiperazin-1-yl)-1,2,4-thiadiazole?
3-methyl-5-(4-prop-2-ynylpiperazin-1-yl)-1,2,4-thiadiazole has a molecular weight of 222.32 g/mol, XLogP of 0.60, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(4-prop-2-ynylpiperazin-1-yl)-1,2,4-thiadiazole is sourced from PubChem (CID 133345090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).