2-(methoxymethyl)-5-[[4-(1-pyridin-2-ylethyl)piperazin-1-yl]methyl]-1,3,4-thiadiazole

C16H23N5OS — CID 167847598

IUPAC2-(methoxymethyl)-5-[[4-(1-pyridin-2-ylethyl)piperazin-1-yl]methyl]-1,3,4-thiadiazole
SMILESCOCc1nnc(CN2CCN(C(C)c3ccccn3)CC2)s1
InChIInChI=1S/C16H23N5OS/c1-13(14-5-3-4-6-17-14)21-9-7-20(8-10-21)11-15-18-19-16(23-15)12-22-2/h3-6,13H,7-12H2,1-2H3
InChIKeyBAZJCICCCIXGKA-UHFFFAOYSA-N
MW333.46 g/mol
LogP1.96
Rot. Bonds6

About 2-(methoxymethyl)-5-[[4-(1-pyridin-2-ylethyl)piperazin-1-yl]methyl]-1,3,4-thiadiazole

2-(methoxymethyl)-5-[[4-(1-pyridin-2-ylethyl)piperazin-1-yl]methyl]-1,3,4-thiadiazole (PubChem CID 167847598) has the molecular formula C16H23N5OS and a molecular weight of 333.46 g/mol. Its IUPAC name is 2-(methoxymethyl)-5-[[4-(1-pyridin-2-ylethyl)piperazin-1-yl]methyl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(methoxymethyl)-5-[[4-(1-pyridin-2-ylethyl)piperazin-1-yl]methyl]-1,3,4-thiadiazole
PubChem CID167847598
Molecular FormulaC16H23N5OS
Molecular Weight333.46 g/mol
Exact Mass333.16
IUPAC Name2-(methoxymethyl)-5-[[4-(1-pyridin-2-ylethyl)piperazin-1-yl]methyl]-1,3,4-thiadiazole
SMILESCOCc1nnc(CN2CCN(C(C)c3ccccn3)CC2)s1
InChIInChI=1S/C16H23N5OS/c1-13(14-5-3-4-6-17-14)21-9-7-20(8-10-21)11-15-18-19-16(23-15)12-22-2/h3-6,13H,7-12H2,1-2H3
InChIKeyBAZJCICCCIXGKA-UHFFFAOYSA-N
XLogP1.96
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-(methoxymethyl)-5-[[4-(1-pyridin-2-ylethyl)piperazin-1-yl]methyl]-1,3,4-thiadiazole with MolForge

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Related Compounds

2-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]acetic acid
CID 65055730
3-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]propanoic acid
CID 65055236
1-[(1R)-1-pyridin-2-ylethyl]-4-[[(3S)-thiolan-3-yl]methyl]piperazine
CID 100702759
1-(4-methoxyphenyl)-4-(1-pyridin-2-ylethyl)piperazine
CID 110454928
4-[(1S)-1-pyridin-2-ylethyl]-1,4-thiazepane
CID 97100104
2-[(1R)-1-[4-(methoxymethyl)triazol-1-yl]ethyl]pyridine
CID 139019613
4-ethoxy-6-[4-[(1R)-1-pyridin-2-ylethyl]piperazin-1-yl]pyrimidine
CID 99627124
4-methoxy-2-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]pyrimidine
CID 146125070
1-(azetidin-3-yl)-4-(1-pyridin-2-ylethyl)piperazine
CID 66202131
1-(2-propan-2-yloxyethylsulfonyl)-4-(1-pyridin-2-ylethyl)piperazine
CID 136512905
3-oxo-3-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]propanoic acid
CID 110480160
N-[(5-methyl-1,3-thiazol-2-yl)methyl]-4-[(1S)-1-pyridin-2-ylethyl]piperazine-1-carboxamide
CID 97308542

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-5-[[4-(1-pyridin-2-ylethyl)piperazin-1-yl]methyl]-1,3,4-thiadiazole?
The IUPAC name of 2-(methoxymethyl)-5-[[4-(1-pyridin-2-ylethyl)piperazin-1-yl]methyl]-1,3,4-thiadiazole (CID 167847598) is 2-(methoxymethyl)-5-[[4-(1-pyridin-2-ylethyl)piperazin-1-yl]methyl]-1,3,4-thiadiazole.
What is the SMILES notation for 2-(methoxymethyl)-5-[[4-(1-pyridin-2-ylethyl)piperazin-1-yl]methyl]-1,3,4-thiadiazole?
The canonical SMILES for 2-(methoxymethyl)-5-[[4-(1-pyridin-2-ylethyl)piperazin-1-yl]methyl]-1,3,4-thiadiazole is COCc1nnc(CN2CCN(C(C)c3ccccn3)CC2)s1.
What is the InChIKey of 2-(methoxymethyl)-5-[[4-(1-pyridin-2-ylethyl)piperazin-1-yl]methyl]-1,3,4-thiadiazole?
The InChIKey is BAZJCICCCIXGKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5OS/c1-13(14-5-3-4-6-17-14)21-9-7-20(8-10-21)11-15-18-19-16(23-15)12-22-2/h3-6,13H,7-12H2,1-2H3.
What are the key properties of 2-(methoxymethyl)-5-[[4-(1-pyridin-2-ylethyl)piperazin-1-yl]methyl]-1,3,4-thiadiazole?
2-(methoxymethyl)-5-[[4-(1-pyridin-2-ylethyl)piperazin-1-yl]methyl]-1,3,4-thiadiazole has a molecular weight of 333.46 g/mol, XLogP of 1.96, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-5-[[4-(1-pyridin-2-ylethyl)piperazin-1-yl]methyl]-1,3,4-thiadiazole is sourced from PubChem (CID 167847598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).