2-methyl-N-[[5-(2-piperidin-1-ylethoxy)-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine

C14H26N4OS — CID 80619924

IUPAC2-methyl-N-[[5-(2-piperidin-1-ylethoxy)-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine
SMILESCC(C)(C)NCc1nnc(OCCN2CCCCC2)s1
InChIInChI=1S/C14H26N4OS/c1-14(2,3)15-11-12-16-17-13(20-12)19-10-9-18-7-5-4-6-8-18/h15H,4-11H2,1-3H3
InChIKeyQZZHGXIZCNOGHG-UHFFFAOYSA-N
MW298.46 g/mol
LogP2.29
Rot. Bonds6

About 2-methyl-N-[[5-(2-piperidin-1-ylethoxy)-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine

2-methyl-N-[[5-(2-piperidin-1-ylethoxy)-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine (PubChem CID 80619924) has the molecular formula C14H26N4OS and a molecular weight of 298.46 g/mol. Its IUPAC name is 2-methyl-N-[[5-(2-piperidin-1-ylethoxy)-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[5-(2-piperidin-1-ylethoxy)-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine
PubChem CID80619924
Molecular FormulaC14H26N4OS
Molecular Weight298.46 g/mol
Exact Mass298.18
IUPAC Name2-methyl-N-[[5-(2-piperidin-1-ylethoxy)-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine
SMILESCC(C)(C)NCc1nnc(OCCN2CCCCC2)s1
InChIInChI=1S/C14H26N4OS/c1-14(2,3)15-11-12-16-17-13(20-12)19-10-9-18-7-5-4-6-8-18/h15H,4-11H2,1-3H3
InChIKeyQZZHGXIZCNOGHG-UHFFFAOYSA-N
XLogP2.29
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.46
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-methyl-N-[[5-(2-piperidin-1-ylethoxy)-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-2-methylpropan-2-amine
CID 78974931
N-[[5-(2-ethoxyethoxy)-1,3,4-thiadiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 80624275
2-methyl-N-[[5-(3-methylbut-3-enoxy)-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine
CID 114470615
2-methyl-N-[[4-(2-piperidin-1-ylethoxy)-2-pyridinyl]methyl]propan-2-amine
CID 62297544
2-methyl-N-[[3-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]propan-2-amine
CID 62438277
2-methyl-N-[[5-(3-pyridin-4-ylpropoxy)-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine
CID 80623770
N-[[1-[2-(azepan-1-yl)ethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 62438721
N-[[5-(2-cyclopropylethoxy)-1,3,4-thiadiazol-2-yl]methyl]ethanamine
CID 106205491
N-[[5-(2-propoxyethoxy)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine
CID 80619952
N-[[5-(3-methoxyphenoxy)-1,3,4-thiadiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 80624786
N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-3-(azocan-1-yl)propanamide
CID 122567369
N-[(5-heptoxy-1,3,4-thiadiazol-2-yl)methyl]propan-2-amine
CID 80623503

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[5-(2-piperidin-1-ylethoxy)-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[5-(2-piperidin-1-ylethoxy)-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine (CID 80619924) is 2-methyl-N-[[5-(2-piperidin-1-ylethoxy)-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[5-(2-piperidin-1-ylethoxy)-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[5-(2-piperidin-1-ylethoxy)-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine is CC(C)(C)NCc1nnc(OCCN2CCCCC2)s1.
What is the InChIKey of 2-methyl-N-[[5-(2-piperidin-1-ylethoxy)-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine?
The InChIKey is QZZHGXIZCNOGHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4OS/c1-14(2,3)15-11-12-16-17-13(20-12)19-10-9-18-7-5-4-6-8-18/h15H,4-11H2,1-3H3.
What are the key properties of 2-methyl-N-[[5-(2-piperidin-1-ylethoxy)-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine?
2-methyl-N-[[5-(2-piperidin-1-ylethoxy)-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine has a molecular weight of 298.46 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[5-(2-piperidin-1-ylethoxy)-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 80619924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).