3-cyclopropyl-N-[1-(1H-pyrazol-4-yl)ethyl]-1,2,4-thiadiazol-5-amine

C10H13N5S — CID 103894687

IUPAC3-cyclopropyl-N-[1-(1H-pyrazol-4-yl)ethyl]-1,2,4-thiadiazol-5-amine
SMILESCC(Nc1nc(C2CC2)ns1)c1cn[nH]c1
InChIInChI=1S/C10H13N5S/c1-6(8-4-11-12-5-8)13-10-14-9(15-16-10)7-2-3-7/h4-7H,2-3H2,1H3,(H,11,12)(H,13,14,15)
InChIKeyWAWZHCAIXQJGCW-UHFFFAOYSA-N
MW235.32 g/mol
LogP2.31
Rot. Bonds4

About 3-cyclopropyl-N-[1-(1H-pyrazol-4-yl)ethyl]-1,2,4-thiadiazol-5-amine

3-cyclopropyl-N-[1-(1H-pyrazol-4-yl)ethyl]-1,2,4-thiadiazol-5-amine (PubChem CID 103894687) has the molecular formula C10H13N5S and a molecular weight of 235.32 g/mol. Its IUPAC name is 3-cyclopropyl-N-[1-(1H-pyrazol-4-yl)ethyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-cyclopropyl-N-[1-(1H-pyrazol-4-yl)ethyl]-1,2,4-thiadiazol-5-amine
PubChem CID103894687
Molecular FormulaC10H13N5S
Molecular Weight235.32 g/mol
Exact Mass235.09
IUPAC Name3-cyclopropyl-N-[1-(1H-pyrazol-4-yl)ethyl]-1,2,4-thiadiazol-5-amine
SMILESCC(Nc1nc(C2CC2)ns1)c1cn[nH]c1
InChIInChI=1S/C10H13N5S/c1-6(8-4-11-12-5-8)13-10-14-9(15-16-10)7-2-3-7/h4-7H,2-3H2,1H3,(H,11,12)(H,13,14,15)
InChIKeyWAWZHCAIXQJGCW-UHFFFAOYSA-N
XLogP2.31
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.32
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[1-(1H-pyrazol-4-yl)ethyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-cyclopropyl-N-[1-(1H-pyrazol-4-yl)ethyl]-1,2,4-thiadiazol-5-amine (CID 103894687) is 3-cyclopropyl-N-[1-(1H-pyrazol-4-yl)ethyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-cyclopropyl-N-[1-(1H-pyrazol-4-yl)ethyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-cyclopropyl-N-[1-(1H-pyrazol-4-yl)ethyl]-1,2,4-thiadiazol-5-amine is CC(Nc1nc(C2CC2)ns1)c1cn[nH]c1.
What is the InChIKey of 3-cyclopropyl-N-[1-(1H-pyrazol-4-yl)ethyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is WAWZHCAIXQJGCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5S/c1-6(8-4-11-12-5-8)13-10-14-9(15-16-10)7-2-3-7/h4-7H,2-3H2,1H3,(H,11,12)(H,13,14,15).
What are the key properties of 3-cyclopropyl-N-[1-(1H-pyrazol-4-yl)ethyl]-1,2,4-thiadiazol-5-amine?
3-cyclopropyl-N-[1-(1H-pyrazol-4-yl)ethyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 235.32 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-[1-(1H-pyrazol-4-yl)ethyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 103894687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).