N-[[5-(2-cyclopropylethoxy)-1,3,4-thiadiazol-2-yl]methyl]ethanamine

C10H17N3OS — CID 106205491

IUPACN-[[5-(2-cyclopropylethoxy)-1,3,4-thiadiazol-2-yl]methyl]ethanamine
SMILESCCNCc1nnc(OCCC2CC2)s1
InChIInChI=1S/C10H17N3OS/c1-2-11-7-9-12-13-10(15-9)14-6-5-8-3-4-8/h8,11H,2-7H2,1H3
InChIKeyVSPNLTVGVBMRBR-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.83
Rot. Bonds7

About N-[[5-(2-cyclopropylethoxy)-1,3,4-thiadiazol-2-yl]methyl]ethanamine

N-[[5-(2-cyclopropylethoxy)-1,3,4-thiadiazol-2-yl]methyl]ethanamine (PubChem CID 106205491) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is N-[[5-(2-cyclopropylethoxy)-1,3,4-thiadiazol-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(2-cyclopropylethoxy)-1,3,4-thiadiazol-2-yl]methyl]ethanamine
PubChem CID106205491
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC NameN-[[5-(2-cyclopropylethoxy)-1,3,4-thiadiazol-2-yl]methyl]ethanamine
SMILESCCNCc1nnc(OCCC2CC2)s1
InChIInChI=1S/C10H17N3OS/c1-2-11-7-9-12-13-10(15-9)14-6-5-8-3-4-8/h8,11H,2-7H2,1H3
InChIKeyVSPNLTVGVBMRBR-UHFFFAOYSA-N
XLogP1.83
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[5-(2-cyclopropylethoxy)-1,3,4-thiadiazol-2-yl]methyl]ethanamine 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-pentoxy-1,3,4-thiadiazol-2-yl)methyl]ethanamine
CID 80623305
N-[(5-hexoxy-1,3,4-thiadiazol-2-yl)methyl]ethanamine
CID 80624766
N-[[5-(3-methoxypropoxy)-1,3,4-thiadiazol-2-yl]methyl]ethanamine
CID 80624548
N-[[5-(2,2,2-trifluoroethoxy)-1,3,4-thiadiazol-2-yl]methyl]ethanamine
CID 80623914
N-[[5-(2,2,3,3-tetrafluoropropoxy)-1,3,4-thiadiazol-2-yl]methyl]ethanamine
CID 80624476
N-[[5-[(6-methylcyclohex-3-en-1-yl)methoxy]-1,3,4-thiadiazol-2-yl]methyl]ethanamine
CID 80623739
N-[[5-(cyclopropylmethoxy)-1,3,4-thiadiazol-2-yl]methyl]-2-methylpropan-1-amine
CID 80623626
N-[[5-(thian-4-ylmethyl)-1,3,4-thiadiazol-2-yl]methyl]ethanamine
CID 83135373
N-[[5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,4-thiadiazol-2-yl]methyl]ethanamine
CID 102723138
N-[[5-(2-propoxyethoxy)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine
CID 80619952
N-[(5-hexoxy-1,3,4-thiadiazol-2-yl)methyl]propan-1-amine
CID 80624767
N-[[5-(2-ethoxyethoxy)-1,3,4-thiadiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 80624275

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-cyclopropylethoxy)-1,3,4-thiadiazol-2-yl]methyl]ethanamine?
The IUPAC name of N-[[5-(2-cyclopropylethoxy)-1,3,4-thiadiazol-2-yl]methyl]ethanamine (CID 106205491) is N-[[5-(2-cyclopropylethoxy)-1,3,4-thiadiazol-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(2-cyclopropylethoxy)-1,3,4-thiadiazol-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-(2-cyclopropylethoxy)-1,3,4-thiadiazol-2-yl]methyl]ethanamine is CCNCc1nnc(OCCC2CC2)s1.
What is the InChIKey of N-[[5-(2-cyclopropylethoxy)-1,3,4-thiadiazol-2-yl]methyl]ethanamine?
The InChIKey is VSPNLTVGVBMRBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-2-11-7-9-12-13-10(15-9)14-6-5-8-3-4-8/h8,11H,2-7H2,1H3.
What are the key properties of N-[[5-(2-cyclopropylethoxy)-1,3,4-thiadiazol-2-yl]methyl]ethanamine?
N-[[5-(2-cyclopropylethoxy)-1,3,4-thiadiazol-2-yl]methyl]ethanamine has a molecular weight of 227.33 g/mol, XLogP of 1.83, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-cyclopropylethoxy)-1,3,4-thiadiazol-2-yl]methyl]ethanamine is sourced from PubChem (CID 106205491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).