2-(3-methyl-4-propan-2-ylpiperazin-1-yl)-5-propyl-1,3,4-thiadiazole

C13H24N4S — CID 131944448

IUPAC2-(3-methyl-4-propan-2-ylpiperazin-1-yl)-5-propyl-1,3,4-thiadiazole
SMILESCCCc1nnc(N2CCN(C(C)C)C(C)C2)s1
InChIInChI=1S/C13H24N4S/c1-5-6-12-14-15-13(18-12)16-7-8-17(10(2)3)11(4)9-16/h10-11H,5-9H2,1-4H3
InChIKeyMRAGPUZJSNXECX-UHFFFAOYSA-N
MW268.43 g/mol
LogP2.41
Rot. Bonds4

About 2-(3-methyl-4-propan-2-ylpiperazin-1-yl)-5-propyl-1,3,4-thiadiazole

2-(3-methyl-4-propan-2-ylpiperazin-1-yl)-5-propyl-1,3,4-thiadiazole (PubChem CID 131944448) has the molecular formula C13H24N4S and a molecular weight of 268.43 g/mol. Its IUPAC name is 2-(3-methyl-4-propan-2-ylpiperazin-1-yl)-5-propyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(3-methyl-4-propan-2-ylpiperazin-1-yl)-5-propyl-1,3,4-thiadiazole
PubChem CID131944448
Molecular FormulaC13H24N4S
Molecular Weight268.43 g/mol
Exact Mass268.17
IUPAC Name2-(3-methyl-4-propan-2-ylpiperazin-1-yl)-5-propyl-1,3,4-thiadiazole
SMILESCCCc1nnc(N2CCN(C(C)C)C(C)C2)s1
InChIInChI=1S/C13H24N4S/c1-5-6-12-14-15-13(18-12)16-7-8-17(10(2)3)11(4)9-16/h10-11H,5-9H2,1-4H3
InChIKeyMRAGPUZJSNXECX-UHFFFAOYSA-N
XLogP2.41
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-but-3-ynylpiperazin-1-yl)-5-propyl-1,3,4-thiadiazole
CID 133453685
2-(5-azaspiro[2.5]octan-5-yl)-5-propyl-1,3,4-thiadiazole
CID 133480844
3-[4-(5-propyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]thiolane 1,1-dioxide
CID 133383459
methyl 2-[4-(5-propyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]acetate
CID 75382019
2-bromo-5-(4-ethyl-3-methylpiperazin-1-yl)-1,3,4-thiadiazole
CID 64622454
2-(3-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-5-propyl-1,3,4-thiadiazole
CID 133463842
2-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-5-propan-2-yl-1,3,4-thiadiazole
CID 133431393
9-(5-propyl-1,3,4-thiadiazol-2-yl)-6-oxa-9-azaspiro[4.5]decane
CID 71847475
[5-(3-ethyl-4-methylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]methanol
CID 167838202
2-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]-5-propyl-1,3,4-thiadiazole
CID 133453144
2-[(1S,5S)-6-(2-methoxyethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-5-propyl-1,3,4-thiadiazole
CID 133125347
5,6-dimethyl-2-(3-methyl-4-propan-2-ylpiperazin-1-yl)pyridine-3-carboxamide
CID 131924706

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-4-propan-2-ylpiperazin-1-yl)-5-propyl-1,3,4-thiadiazole?
The IUPAC name of 2-(3-methyl-4-propan-2-ylpiperazin-1-yl)-5-propyl-1,3,4-thiadiazole (CID 131944448) is 2-(3-methyl-4-propan-2-ylpiperazin-1-yl)-5-propyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-(3-methyl-4-propan-2-ylpiperazin-1-yl)-5-propyl-1,3,4-thiadiazole?
The canonical SMILES for 2-(3-methyl-4-propan-2-ylpiperazin-1-yl)-5-propyl-1,3,4-thiadiazole is CCCc1nnc(N2CCN(C(C)C)C(C)C2)s1.
What is the InChIKey of 2-(3-methyl-4-propan-2-ylpiperazin-1-yl)-5-propyl-1,3,4-thiadiazole?
The InChIKey is MRAGPUZJSNXECX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4S/c1-5-6-12-14-15-13(18-12)16-7-8-17(10(2)3)11(4)9-16/h10-11H,5-9H2,1-4H3.
What are the key properties of 2-(3-methyl-4-propan-2-ylpiperazin-1-yl)-5-propyl-1,3,4-thiadiazole?
2-(3-methyl-4-propan-2-ylpiperazin-1-yl)-5-propyl-1,3,4-thiadiazole has a molecular weight of 268.43 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-4-propan-2-ylpiperazin-1-yl)-5-propyl-1,3,4-thiadiazole is sourced from PubChem (CID 131944448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).