1-[5-(4-methylpiperazin-1-yl)-1,2,4-thiadiazol-3-yl]propan-2-one

C10H16N4OS — CID 155818948

IUPAC1-[5-(4-methylpiperazin-1-yl)-1,2,4-thiadiazol-3-yl]propan-2-one
SMILESCC(=O)Cc1nsc(N2CCN(C)CC2)n1
InChIInChI=1S/C10H16N4OS/c1-8(15)7-9-11-10(16-12-9)14-5-3-13(2)4-6-14/h3-7H2,1-2H3
InChIKeyBTUDISOWQORQAT-UHFFFAOYSA-N
MW240.33 g/mol
LogP0.42
Rot. Bonds3

About 1-[5-(4-methylpiperazin-1-yl)-1,2,4-thiadiazol-3-yl]propan-2-one

1-[5-(4-methylpiperazin-1-yl)-1,2,4-thiadiazol-3-yl]propan-2-one (PubChem CID 155818948) has the molecular formula C10H16N4OS and a molecular weight of 240.33 g/mol. Its IUPAC name is 1-[5-(4-methylpiperazin-1-yl)-1,2,4-thiadiazol-3-yl]propan-2-one.

Molecular Properties

Compound Name1-[5-(4-methylpiperazin-1-yl)-1,2,4-thiadiazol-3-yl]propan-2-one
PubChem CID155818948
Molecular FormulaC10H16N4OS
Molecular Weight240.33 g/mol
Exact Mass240.10
IUPAC Name1-[5-(4-methylpiperazin-1-yl)-1,2,4-thiadiazol-3-yl]propan-2-one
SMILESCC(=O)Cc1nsc(N2CCN(C)CC2)n1
InChIInChI=1S/C10H16N4OS/c1-8(15)7-9-11-10(16-12-9)14-5-3-13(2)4-6-14/h3-7H2,1-2H3
InChIKeyBTUDISOWQORQAT-UHFFFAOYSA-N
XLogP0.42
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-N-methylpropanamide
CID 71988596
1-(3-Methyl-1,2,4-thiadiazol-5-yl)piperidin-4-one
CID 59258510
1-(3-Ethyl-1,2,4-thiadiazol-5-yl)piperidin-4-one
CID 59433760
1-[2,3,5,6-Tetramethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone
CID 71277803
1-(5-Piperidin-1-yl-1,2,4-thiadiazol-3-yl)propan-2-one
CID 89752796
1-[5-(Azepan-1-yl)-1,2,4-thiadiazol-3-yl]propan-2-one
CID 89752806
3-Ethyl-5-(4-propylpiperazin-1-yl)-1,2,4-thiadiazole
CID 90141837
3-Ethyl-5-(4-methylpiperazin-1-yl)-1,2,4-thiadiazole
CID 90141839
1-[5-(Dimethylamino)-1,2,4-thiadiazol-3-yl]propan-2-one
CID 125501072
1-[5-[3-(Diethylamino)propylamino]-1,2,4-thiadiazol-3-yl]propan-2-one
CID 4713655
3-[4-(3-Methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propanoic acid
CID 65267717
1-(3-Propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-one
CID 65272111

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-methylpiperazin-1-yl)-1,2,4-thiadiazol-3-yl]propan-2-one?
The IUPAC name of 1-[5-(4-methylpiperazin-1-yl)-1,2,4-thiadiazol-3-yl]propan-2-one (CID 155818948) is 1-[5-(4-methylpiperazin-1-yl)-1,2,4-thiadiazol-3-yl]propan-2-one.
What is the SMILES notation for 1-[5-(4-methylpiperazin-1-yl)-1,2,4-thiadiazol-3-yl]propan-2-one?
The canonical SMILES for 1-[5-(4-methylpiperazin-1-yl)-1,2,4-thiadiazol-3-yl]propan-2-one is CC(=O)Cc1nsc(N2CCN(C)CC2)n1.
What is the InChIKey of 1-[5-(4-methylpiperazin-1-yl)-1,2,4-thiadiazol-3-yl]propan-2-one?
The InChIKey is BTUDISOWQORQAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4OS/c1-8(15)7-9-11-10(16-12-9)14-5-3-13(2)4-6-14/h3-7H2,1-2H3.
What are the key properties of 1-[5-(4-methylpiperazin-1-yl)-1,2,4-thiadiazol-3-yl]propan-2-one?
1-[5-(4-methylpiperazin-1-yl)-1,2,4-thiadiazol-3-yl]propan-2-one has a molecular weight of 240.33 g/mol, XLogP of 0.42, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-methylpiperazin-1-yl)-1,2,4-thiadiazol-3-yl]propan-2-one is sourced from PubChem (CID 155818948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).