N-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-2-methylpropan-1-amine

C9H17N3OS — CID 80623383

IUPACN-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-2-methylpropan-1-amine
SMILESCCOc1nnc(CNCC(C)C)s1
InChIInChI=1S/C9H17N3OS/c1-4-13-9-12-11-8(14-9)6-10-5-7(2)3/h7,10H,4-6H2,1-3H3
InChIKeyOIXWCHSQADADOU-UHFFFAOYSA-N
MW215.32 g/mol
LogP1.68
Rot. Bonds6

About N-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-2-methylpropan-1-amine

N-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-2-methylpropan-1-amine (PubChem CID 80623383) has the molecular formula C9H17N3OS and a molecular weight of 215.32 g/mol. Its IUPAC name is N-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-2-methylpropan-1-amine
PubChem CID80623383
Molecular FormulaC9H17N3OS
Molecular Weight215.32 g/mol
Exact Mass215.11
IUPAC NameN-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-2-methylpropan-1-amine
SMILESCCOc1nnc(CNCC(C)C)s1
InChIInChI=1S/C9H17N3OS/c1-4-13-9-12-11-8(14-9)6-10-5-7(2)3/h7,10H,4-6H2,1-3H3
InChIKeyOIXWCHSQADADOU-UHFFFAOYSA-N
XLogP1.68
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-2-methylpropan-1-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-(2-methoxyethoxy)-1,3,4-thiadiazol-2-yl]methyl]-2-methylpropan-1-amine
CID 80623292
N-[[5-(cyclopropylmethoxy)-1,3,4-thiadiazol-2-yl]methyl]-2-methylpropan-1-amine
CID 80623626
N-[[5-[2-(diethylamino)ethoxy]-1,3,4-thiadiazol-2-yl]methyl]-2-methylpropan-1-amine
CID 80621123
N-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-2-methylpropan-2-amine
CID 78974931
N-[(5-cycloheptyloxy-1,3,4-thiadiazol-2-yl)methyl]-2-methylpropan-1-amine
CID 80620557
2-methyl-N-[(5-octan-2-yloxy-1,3,4-thiadiazol-2-yl)methyl]propan-1-amine
CID 80623930
2-methyl-N-[[5-[(E)-3-phenylprop-2-enoxy]-1,3,4-thiadiazol-2-yl]methyl]propan-1-amine
CID 80623658
2-methyl-N-[[5-(oxan-2-ylmethoxy)-1,3,4-thiadiazol-2-yl]methyl]propan-1-amine
CID 80624652
N-[[5-(3-ethylphenoxy)-1,3,4-thiadiazol-2-yl]methyl]-2-methylpropan-1-amine
CID 80623632
N-[[5-(3-bromophenoxy)-1,3,4-thiadiazol-2-yl]methyl]-2-methylpropan-1-amine
CID 80620023
N-[[5-(2-methylpentoxy)-1,3,4-thiadiazol-2-yl]methyl]propan-1-amine
CID 103285442
N-[[5-(3-fluoro-4-methylphenoxy)-1,3,4-thiadiazol-2-yl]methyl]-2-methylpropan-1-amine
CID 107170637

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-2-methylpropan-1-amine (CID 80623383) is N-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-2-methylpropan-1-amine is CCOc1nnc(CNCC(C)C)s1.
What is the InChIKey of N-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-2-methylpropan-1-amine?
The InChIKey is OIXWCHSQADADOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3OS/c1-4-13-9-12-11-8(14-9)6-10-5-7(2)3/h7,10H,4-6H2,1-3H3.
What are the key properties of N-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-2-methylpropan-1-amine?
N-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-2-methylpropan-1-amine has a molecular weight of 215.32 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 80623383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).