1-[5-(propan-2-yloxymethyl)-1,3,4-thiadiazol-2-yl]ethanamine

C8H15N3OS — CID 112605768

IUPAC1-[5-(propan-2-yloxymethyl)-1,3,4-thiadiazol-2-yl]ethanamine
SMILESCC(C)OCc1nnc(C(C)N)s1
InChIInChI=1S/C8H15N3OS/c1-5(2)12-4-7-10-11-8(13-7)6(3)9/h5-6H,4,9H2,1-3H3
InChIKeyJPEWEGAVMWPJRF-UHFFFAOYSA-N
MW201.29 g/mol
LogP1.48
Rot. Bonds4

About 1-[5-(propan-2-yloxymethyl)-1,3,4-thiadiazol-2-yl]ethanamine

1-[5-(propan-2-yloxymethyl)-1,3,4-thiadiazol-2-yl]ethanamine (PubChem CID 112605768) has the molecular formula C8H15N3OS and a molecular weight of 201.29 g/mol. Its IUPAC name is 1-[5-(propan-2-yloxymethyl)-1,3,4-thiadiazol-2-yl]ethanamine.

Molecular Properties

Compound Name1-[5-(propan-2-yloxymethyl)-1,3,4-thiadiazol-2-yl]ethanamine
PubChem CID112605768
Molecular FormulaC8H15N3OS
Molecular Weight201.29 g/mol
Exact Mass201.09
IUPAC Name1-[5-(propan-2-yloxymethyl)-1,3,4-thiadiazol-2-yl]ethanamine
SMILESCC(C)OCc1nnc(C(C)N)s1
InChIInChI=1S/C8H15N3OS/c1-5(2)12-4-7-10-11-8(13-7)6(3)9/h5-6H,4,9H2,1-3H3
InChIKeyJPEWEGAVMWPJRF-UHFFFAOYSA-N
XLogP1.48
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(propan-2-yloxymethyl)-1,3,4-thiadiazol-2-amine
CID 80607952
1-[5-[2-(2,2-difluoroethoxy)ethyl]-1,3,4-thiadiazol-2-yl]ethanamine
CID 103213286
5-(propan-2-yloxymethyl)-N-propyl-1,3,4-thiadiazol-2-amine
CID 80607854
N-(2-methoxyethyl)-3-[5-(propan-2-yloxymethyl)-1,3,4-thiadiazol-2-yl]propan-1-amine
CID 112605790
1-[5-[(4-methoxy-3-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]ethanamine
CID 82666669
3-(propan-2-yloxymethyl)-1,2,4-thiadiazol-5-amine
CID 83874182
1-[5-(3-methoxythiophen-2-yl)-1,3,4-thiadiazol-2-yl]ethanamine
CID 81129833
N-methyl-5-(2-propan-2-yloxyethoxymethyl)-1,3,4-thiadiazol-2-amine
CID 80608408
5-[5-(1-aminoethyl)-1,3,4-thiadiazol-2-yl]benzene-1,3-diol
CID 107707158
[5-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3,4-thiadiazol-2-yl]hydrazine
CID 80614521
3-bromo-5-(propan-2-yloxymethyl)-1,2,4-thiadiazole
CID 102943243
3-chloro-5-(propan-2-yloxymethyl)-1,2,4-thiadiazole
CID 102943908

Frequently Asked Questions

What is the IUPAC name of 1-[5-(propan-2-yloxymethyl)-1,3,4-thiadiazol-2-yl]ethanamine?
The IUPAC name of 1-[5-(propan-2-yloxymethyl)-1,3,4-thiadiazol-2-yl]ethanamine (CID 112605768) is 1-[5-(propan-2-yloxymethyl)-1,3,4-thiadiazol-2-yl]ethanamine.
What is the SMILES notation for 1-[5-(propan-2-yloxymethyl)-1,3,4-thiadiazol-2-yl]ethanamine?
The canonical SMILES for 1-[5-(propan-2-yloxymethyl)-1,3,4-thiadiazol-2-yl]ethanamine is CC(C)OCc1nnc(C(C)N)s1.
What is the InChIKey of 1-[5-(propan-2-yloxymethyl)-1,3,4-thiadiazol-2-yl]ethanamine?
The InChIKey is JPEWEGAVMWPJRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3OS/c1-5(2)12-4-7-10-11-8(13-7)6(3)9/h5-6H,4,9H2,1-3H3.
What are the key properties of 1-[5-(propan-2-yloxymethyl)-1,3,4-thiadiazol-2-yl]ethanamine?
1-[5-(propan-2-yloxymethyl)-1,3,4-thiadiazol-2-yl]ethanamine has a molecular weight of 201.29 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(propan-2-yloxymethyl)-1,3,4-thiadiazol-2-yl]ethanamine is sourced from PubChem (CID 112605768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).