1-cyclopropyl-N-(thiadiazol-4-ylmethyl)ethanamine

C8H13N3S — CID 43664146

IUPAC1-cyclopropyl-N-(thiadiazol-4-ylmethyl)ethanamine
SMILESCC(NCc1csnn1)C1CC1
InChIInChI=1S/C8H13N3S/c1-6(7-2-3-7)9-4-8-5-12-11-10-8/h5-7,9H,2-4H2,1H3
InChIKeyBVGMIVJEIFBCKU-UHFFFAOYSA-N
MW183.28 g/mol
LogP1.43
Rot. Bonds4

About 1-cyclopropyl-N-(thiadiazol-4-ylmethyl)ethanamine

1-cyclopropyl-N-(thiadiazol-4-ylmethyl)ethanamine (PubChem CID 43664146) has the molecular formula C8H13N3S and a molecular weight of 183.28 g/mol. Its IUPAC name is 1-cyclopropyl-N-(thiadiazol-4-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-cyclopropyl-N-(thiadiazol-4-ylmethyl)ethanamine
PubChem CID43664146
Molecular FormulaC8H13N3S
Molecular Weight183.28 g/mol
Exact Mass183.08
IUPAC Name1-cyclopropyl-N-(thiadiazol-4-ylmethyl)ethanamine
SMILESCC(NCc1csnn1)C1CC1
InChIInChI=1S/C8H13N3S/c1-6(7-2-3-7)9-4-8-5-12-11-10-8/h5-7,9H,2-4H2,1H3
InChIKeyBVGMIVJEIFBCKU-UHFFFAOYSA-N
XLogP1.43
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-(thiadiazol-4-ylmethyl)ethanamine?
The IUPAC name of 1-cyclopropyl-N-(thiadiazol-4-ylmethyl)ethanamine (CID 43664146) is 1-cyclopropyl-N-(thiadiazol-4-ylmethyl)ethanamine.
What is the SMILES notation for 1-cyclopropyl-N-(thiadiazol-4-ylmethyl)ethanamine?
The canonical SMILES for 1-cyclopropyl-N-(thiadiazol-4-ylmethyl)ethanamine is CC(NCc1csnn1)C1CC1.
What is the InChIKey of 1-cyclopropyl-N-(thiadiazol-4-ylmethyl)ethanamine?
The InChIKey is BVGMIVJEIFBCKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3S/c1-6(7-2-3-7)9-4-8-5-12-11-10-8/h5-7,9H,2-4H2,1H3.
What are the key properties of 1-cyclopropyl-N-(thiadiazol-4-ylmethyl)ethanamine?
1-cyclopropyl-N-(thiadiazol-4-ylmethyl)ethanamine has a molecular weight of 183.28 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-(thiadiazol-4-ylmethyl)ethanamine is sourced from PubChem (CID 43664146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).