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

C10H17N3OS — CID 115036343

IUPAC2-[5-(2-methyloxan-2-yl)-1,3,4-thiadiazol-2-yl]ethanamine
SMILESCC1(c2nnc(CCN)s2)CCCCO1
InChIInChI=1S/C10H17N3OS/c1-10(5-2-3-7-14-10)9-13-12-8(15-9)4-6-11/h2-7,11H2,1H3
InChIKeyTVXPFBGXFIDNPI-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.46
Rot. Bonds3

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

2-[5-(2-methyloxan-2-yl)-1,3,4-thiadiazol-2-yl]ethanamine (PubChem CID 115036343) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is 2-[5-(2-methyloxan-2-yl)-1,3,4-thiadiazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(2-methyloxan-2-yl)-1,3,4-thiadiazol-2-yl]ethanamine
PubChem CID115036343
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name2-[5-(2-methyloxan-2-yl)-1,3,4-thiadiazol-2-yl]ethanamine
SMILESCC1(c2nnc(CCN)s2)CCCCO1
InChIInChI=1S/C10H17N3OS/c1-10(5-2-3-7-14-10)9-13-12-8(15-9)4-6-11/h2-7,11H2,1H3
InChIKeyTVXPFBGXFIDNPI-UHFFFAOYSA-N
XLogP1.46
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-methyloxan-2-yl)-1,3,4-thiadiazol-2-yl]ethanamine?
The IUPAC name of 2-[5-(2-methyloxan-2-yl)-1,3,4-thiadiazol-2-yl]ethanamine (CID 115036343) is 2-[5-(2-methyloxan-2-yl)-1,3,4-thiadiazol-2-yl]ethanamine.
What is the SMILES notation for 2-[5-(2-methyloxan-2-yl)-1,3,4-thiadiazol-2-yl]ethanamine?
The canonical SMILES for 2-[5-(2-methyloxan-2-yl)-1,3,4-thiadiazol-2-yl]ethanamine is CC1(c2nnc(CCN)s2)CCCCO1.
What is the InChIKey of 2-[5-(2-methyloxan-2-yl)-1,3,4-thiadiazol-2-yl]ethanamine?
The InChIKey is TVXPFBGXFIDNPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-10(5-2-3-7-14-10)9-13-12-8(15-9)4-6-11/h2-7,11H2,1H3.
What are the key properties of 2-[5-(2-methyloxan-2-yl)-1,3,4-thiadiazol-2-yl]ethanamine?
2-[5-(2-methyloxan-2-yl)-1,3,4-thiadiazol-2-yl]ethanamine has a molecular weight of 227.33 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-methyloxan-2-yl)-1,3,4-thiadiazol-2-yl]ethanamine is sourced from PubChem (CID 115036343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).