[5-(2-methyloxan-2-yl)-1,3,4-thiadiazol-2-yl]methanamine

C9H15N3OS — CID 115028471

IUPAC[5-(2-methyloxan-2-yl)-1,3,4-thiadiazol-2-yl]methanamine
SMILESCC1(c2nnc(CN)s2)CCCCO1
InChIInChI=1S/C9H15N3OS/c1-9(4-2-3-5-13-9)8-12-11-7(6-10)14-8/h2-6,10H2,1H3
InChIKeyPLXIQSLUGVFAMS-UHFFFAOYSA-N
MW213.31 g/mol
LogP1.41
Rot. Bonds2

About [5-(2-methyloxan-2-yl)-1,3,4-thiadiazol-2-yl]methanamine

[5-(2-methyloxan-2-yl)-1,3,4-thiadiazol-2-yl]methanamine (PubChem CID 115028471) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is [5-(2-methyloxan-2-yl)-1,3,4-thiadiazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-(2-methyloxan-2-yl)-1,3,4-thiadiazol-2-yl]methanamine
PubChem CID115028471
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC Name[5-(2-methyloxan-2-yl)-1,3,4-thiadiazol-2-yl]methanamine
SMILESCC1(c2nnc(CN)s2)CCCCO1
InChIInChI=1S/C9H15N3OS/c1-9(4-2-3-5-13-9)8-12-11-7(6-10)14-8/h2-6,10H2,1H3
InChIKeyPLXIQSLUGVFAMS-UHFFFAOYSA-N
XLogP1.41
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-1-[5-(oxan-2-yl)-1,3,4-thiadiazol-2-yl]methanamine
CID 65704177
1-[5-(Oxan-2-yl)-1,3,4-thiadiazol-2-yl]ethanamine
CID 65726191
[5-(Oxan-2-yl)-1,3,4-thiadiazol-2-yl]methanamine
CID 65726787
1-[5-(Oxan-2-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine
CID 65728328
3-[5-(Oxan-2-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine
CID 65728672
2-[5-(Oxan-2-yl)-1,3,4-thiadiazol-2-yl]ethanamine
CID 65728717
[5-(2-Methyloxolan-2-yl)-1,3,4-thiadiazol-2-yl]methanamine
CID 80173555
3-[5-(2-Methyloxolan-2-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine
CID 80173556
1-[5-(2-Methyloxolan-2-yl)-1,3,4-thiadiazol-2-yl]ethanamine
CID 80173643
2-[5-(2-Methyloxolan-2-yl)-1,3,4-thiadiazol-2-yl]ethanamine
CID 80173733
2-[5-(2-Methyloxan-2-yl)-1,3,4-thiadiazol-2-yl]ethanamine
CID 115036343
3-[5-(2-Methyloxan-2-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine
CID 115044441

Frequently Asked Questions

What is the IUPAC name of [5-(2-methyloxan-2-yl)-1,3,4-thiadiazol-2-yl]methanamine?
The IUPAC name of [5-(2-methyloxan-2-yl)-1,3,4-thiadiazol-2-yl]methanamine (CID 115028471) is [5-(2-methyloxan-2-yl)-1,3,4-thiadiazol-2-yl]methanamine.
What is the SMILES notation for [5-(2-methyloxan-2-yl)-1,3,4-thiadiazol-2-yl]methanamine?
The canonical SMILES for [5-(2-methyloxan-2-yl)-1,3,4-thiadiazol-2-yl]methanamine is CC1(c2nnc(CN)s2)CCCCO1.
What is the InChIKey of [5-(2-methyloxan-2-yl)-1,3,4-thiadiazol-2-yl]methanamine?
The InChIKey is PLXIQSLUGVFAMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c1-9(4-2-3-5-13-9)8-12-11-7(6-10)14-8/h2-6,10H2,1H3.
What are the key properties of [5-(2-methyloxan-2-yl)-1,3,4-thiadiazol-2-yl]methanamine?
[5-(2-methyloxan-2-yl)-1,3,4-thiadiazol-2-yl]methanamine has a molecular weight of 213.31 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-methyloxan-2-yl)-1,3,4-thiadiazol-2-yl]methanamine is sourced from PubChem (CID 115028471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).