2-[4-(2-methylpropyl)piperazin-1-yl]-5-propan-2-yl-1,3,4-thiadiazole

C13H24N4S — CID 133382514

IUPAC2-[4-(2-methylpropyl)piperazin-1-yl]-5-propan-2-yl-1,3,4-thiadiazole
SMILESCC(C)CN1CCN(c2nnc(C(C)C)s2)CC1
InChIInChI=1S/C13H24N4S/c1-10(2)9-16-5-7-17(8-6-16)13-15-14-12(18-13)11(3)4/h10-11H,5-9H2,1-4H3
InChIKeyFEZLZKHWSBHKAB-UHFFFAOYSA-N
MW268.43 g/mol
LogP2.44
Rot. Bonds4

About 2-[4-(2-methylpropyl)piperazin-1-yl]-5-propan-2-yl-1,3,4-thiadiazole

2-[4-(2-methylpropyl)piperazin-1-yl]-5-propan-2-yl-1,3,4-thiadiazole (PubChem CID 133382514) has the molecular formula C13H24N4S and a molecular weight of 268.43 g/mol. Its IUPAC name is 2-[4-(2-methylpropyl)piperazin-1-yl]-5-propan-2-yl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-[4-(2-methylpropyl)piperazin-1-yl]-5-propan-2-yl-1,3,4-thiadiazole
PubChem CID133382514
Molecular FormulaC13H24N4S
Molecular Weight268.43 g/mol
Exact Mass268.17
IUPAC Name2-[4-(2-methylpropyl)piperazin-1-yl]-5-propan-2-yl-1,3,4-thiadiazole
SMILESCC(C)CN1CCN(c2nnc(C(C)C)s2)CC1
InChIInChI=1S/C13H24N4S/c1-10(2)9-16-5-7-17(8-6-16)13-15-14-12(18-13)11(3)4/h10-11H,5-9H2,1-4H3
InChIKeyFEZLZKHWSBHKAB-UHFFFAOYSA-N
XLogP2.44
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 ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(2-methylpropyl)piperazin-1-yl]-1,3-thiazol-5-amine
CID 102768331
2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-5-propan-2-yl-1,3,4-thiadiazole
CID 133383596
2-[4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 133382760
2-[4-(2-ethoxyphenyl)piperazin-1-yl]-5-propan-2-yl-1,3,4-thiadiazole
CID 133365981
[4-ethyl-2-[4-(2-methylpropyl)piperazin-1-yl]-1,3-thiazol-5-yl]methanamine
CID 62777571
[1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]methanesulfonamide
CID 136514994
N-[[2-[4-(2-methylpropyl)piperazin-1-yl]-1,3-thiazol-5-yl]methyl]ethanamine
CID 55116776
2,6-dimethyl-4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)morpholine
CID 133365832
2-[4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1,4-diazepan-1-yl]-1,3-benzothiazole
CID 134706742
[4-cyclopropyl-2-[4-(2-methylpropyl)piperazin-1-yl]-1,3-thiazol-5-yl]methanamine
CID 63916433
2-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-5-propan-2-yl-1,3,4-thiadiazole
CID 133431393
ethyl 1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxylate
CID 133365960

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylpropyl)piperazin-1-yl]-5-propan-2-yl-1,3,4-thiadiazole?
The IUPAC name of 2-[4-(2-methylpropyl)piperazin-1-yl]-5-propan-2-yl-1,3,4-thiadiazole (CID 133382514) is 2-[4-(2-methylpropyl)piperazin-1-yl]-5-propan-2-yl-1,3,4-thiadiazole.
What is the SMILES notation for 2-[4-(2-methylpropyl)piperazin-1-yl]-5-propan-2-yl-1,3,4-thiadiazole?
The canonical SMILES for 2-[4-(2-methylpropyl)piperazin-1-yl]-5-propan-2-yl-1,3,4-thiadiazole is CC(C)CN1CCN(c2nnc(C(C)C)s2)CC1.
What is the InChIKey of 2-[4-(2-methylpropyl)piperazin-1-yl]-5-propan-2-yl-1,3,4-thiadiazole?
The InChIKey is FEZLZKHWSBHKAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4S/c1-10(2)9-16-5-7-17(8-6-16)13-15-14-12(18-13)11(3)4/h10-11H,5-9H2,1-4H3.
What are the key properties of 2-[4-(2-methylpropyl)piperazin-1-yl]-5-propan-2-yl-1,3,4-thiadiazole?
2-[4-(2-methylpropyl)piperazin-1-yl]-5-propan-2-yl-1,3,4-thiadiazole has a molecular weight of 268.43 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylpropyl)piperazin-1-yl]-5-propan-2-yl-1,3,4-thiadiazole is sourced from PubChem (CID 133382514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).