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

C7H13N3S — CID 64982644

IUPAC2-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)ethanamine
SMILESCC(C)c1nnc(CCN)s1
InChIInChI=1S/C7H13N3S/c1-5(2)7-10-9-6(11-7)3-4-8/h5H,3-4,8H2,1-2H3
InChIKeyZNVFAPPTMRCUQY-UHFFFAOYSA-N
MW171.27 g/mol
LogP1.16
Rot. Bonds3

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

2-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)ethanamine (PubChem CID 64982644) has the molecular formula C7H13N3S and a molecular weight of 171.27 g/mol. Its IUPAC name is 2-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)ethanamine.

Molecular Properties

Compound Name2-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)ethanamine
PubChem CID64982644
Molecular FormulaC7H13N3S
Molecular Weight171.27 g/mol
Exact Mass171.08
IUPAC Name2-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)ethanamine
SMILESCC(C)c1nnc(CCN)s1
InChIInChI=1S/C7H13N3S/c1-5(2)7-10-9-6(11-7)3-4-8/h5H,3-4,8H2,1-2H3
InChIKeyZNVFAPPTMRCUQY-UHFFFAOYSA-N
XLogP1.16
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.27
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)ethanamine?
The IUPAC name of 2-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)ethanamine (CID 64982644) is 2-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)ethanamine.
What is the SMILES notation for 2-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)ethanamine?
The canonical SMILES for 2-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)ethanamine is CC(C)c1nnc(CCN)s1.
What is the InChIKey of 2-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)ethanamine?
The InChIKey is ZNVFAPPTMRCUQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3S/c1-5(2)7-10-9-6(11-7)3-4-8/h5H,3-4,8H2,1-2H3.
What are the key properties of 2-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)ethanamine?
2-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)ethanamine has a molecular weight of 171.27 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)ethanamine is sourced from PubChem (CID 64982644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).