2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1,3,4-thiadiazole

C10H18N4S — CID 133365804

IUPAC2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1,3,4-thiadiazole
SMILESCC(C)c1nnc(N2CCN(C)CC2)s1
InChIInChI=1S/C10H18N4S/c1-8(2)9-11-12-10(15-9)14-6-4-13(3)5-7-14/h8H,4-7H2,1-3H3
InChIKeyYWUJKOJCGNOVKF-UHFFFAOYSA-N
MW226.35 g/mol
LogP1.41
Rot. Bonds2

About 2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1,3,4-thiadiazole

2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1,3,4-thiadiazole (PubChem CID 133365804) has the molecular formula C10H18N4S and a molecular weight of 226.35 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1,3,4-thiadiazole
PubChem CID133365804
Molecular FormulaC10H18N4S
Molecular Weight226.35 g/mol
Exact Mass226.13
IUPAC Name2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1,3,4-thiadiazole
SMILESCC(C)c1nnc(N2CCN(C)CC2)s1
InChIInChI=1S/C10H18N4S/c1-8(2)9-11-12-10(15-9)14-6-4-13(3)5-7-14/h8H,4-7H2,1-3H3
InChIKeyYWUJKOJCGNOVKF-UHFFFAOYSA-N
XLogP1.41
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.35
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Piperazine, 1-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methyl-
CID 3044804
N,N,N'-trimethyl-N'-[1-(5-propyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]ethane-1,2-diamine
CID 129607983
1-(5-Isopropyl-1,3,4-thiadiazol-2-YL)-4-(4-methoxybutyl)piperazine
CID 129610030
4-(5-Isopropyl-1,3,4-thiadiazol-2-YL)-1,2,2-trimethylpiperazine
CID 129616924
2-(2-Fluoropropan-2-yl)-5-piperazin-1-yl-1,3,4-thiadiazole
CID 91185687
2-(Difluoromethyl)-5-[4-(3-methylbutyl)piperazin-1-yl]-1,3,4-thiadiazole
CID 71968126
2-(4-(2-Fluoroethyl)piperazin-1-yl)-5-methyl-1,3,4-thiadiazole
CID 121020691
2-[3-Methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-5-propan-2-yl-1,3,4-thiadiazole
CID 133431393
2-Cyclopropyl-5-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3,4-thiadiazole
CID 133431553
2-Tert-butyl-5-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3,4-thiadiazole
CID 133431648
2-[3-Methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-5-propyl-1,3,4-thiadiazole
CID 133431666
2-Tert-butyl-5-piperidin-1-yl-1,3,4-thiadiazole
CID 71850483

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1,3,4-thiadiazole?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1,3,4-thiadiazole (CID 133365804) is 2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1,3,4-thiadiazole.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1,3,4-thiadiazole?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1,3,4-thiadiazole is CC(C)c1nnc(N2CCN(C)CC2)s1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1,3,4-thiadiazole?
The InChIKey is YWUJKOJCGNOVKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4S/c1-8(2)9-11-12-10(15-9)14-6-4-13(3)5-7-14/h8H,4-7H2,1-3H3.
What are the key properties of 2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1,3,4-thiadiazole?
2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1,3,4-thiadiazole has a molecular weight of 226.35 g/mol, XLogP of 1.41, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1,3,4-thiadiazole is sourced from PubChem (CID 133365804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).