3-cyclopropyl-1,2,4-thiadiazol-5-amine

C5H7N3S — CID 23092533

IUPAC3-cyclopropyl-1,2,4-thiadiazol-5-amine
SMILESNc1nc(C2CC2)ns1
InChIInChI=1S/C5H7N3S/c6-5-7-4(8-9-5)3-1-2-3/h3H,1-2H2,(H2,6,7,8)
InChIKeyPWMKMGJWPFSQIE-UHFFFAOYSA-N
MW141.20 g/mol
LogP1.00
Rot. Bonds1

About 3-cyclopropyl-1,2,4-thiadiazol-5-amine

3-cyclopropyl-1,2,4-thiadiazol-5-amine (PubChem CID 23092533) has the molecular formula C5H7N3S and a molecular weight of 141.20 g/mol. Its IUPAC name is 3-cyclopropyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-cyclopropyl-1,2,4-thiadiazol-5-amine
PubChem CID23092533
Molecular FormulaC5H7N3S
Molecular Weight141.20 g/mol
Exact Mass141.04
IUPAC Name3-cyclopropyl-1,2,4-thiadiazol-5-amine
SMILESNc1nc(C2CC2)ns1
InChIInChI=1S/C5H7N3S/c6-5-7-4(8-9-5)3-1-2-3/h3H,1-2H2,(H2,6,7,8)
InChIKeyPWMKMGJWPFSQIE-UHFFFAOYSA-N
XLogP1.00
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.20
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(Propan-2-yl)-1,2,4-thiadiazol-5-amine
CID 581957
3-Propyl-1,2,4-thiadiazol-5-amine
CID 575489
5-Amino-3-ethyl-1,2,4-thiadiazole
CID 2756430
5-Cyclopropyl-1,2,4-thiadiazol-3-amine
CID 64538822
5-Bromo-3-cyclopropyl-1,2,4-thiadiazole
CID 65274017
3-Tert-butyl-1,2,4-thiadiazol-5-amine
CID 21688990
3-(Cyclopropylmethyl)-1,2,4-thiadiazol-5-amine
CID 80484090
3-(3,3,3-Trifluoro-propyl)-[1,2,4]thiadiazol-5-ylamine
CID 66898934
3-(1-Fluoroethyl)-1,2,4-thiadiazol-5-amine
CID 174597237
3-(2,2,2-Trifluoroethyl)-1,2,4-thiadiazol-5-amine
CID 61392887
3-Pentan-3-yl-1,2,4-thiadiazol-5-amine
CID 62314696
3-(2-Fluoropropan-2-yl)-1,2,4-thiadiazol-5-amine
CID 105431652

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-cyclopropyl-1,2,4-thiadiazol-5-amine (CID 23092533) is 3-cyclopropyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-cyclopropyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-cyclopropyl-1,2,4-thiadiazol-5-amine is Nc1nc(C2CC2)ns1.
What is the InChIKey of 3-cyclopropyl-1,2,4-thiadiazol-5-amine?
The InChIKey is PWMKMGJWPFSQIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3S/c6-5-7-4(8-9-5)3-1-2-3/h3H,1-2H2,(H2,6,7,8).
What are the key properties of 3-cyclopropyl-1,2,4-thiadiazol-5-amine?
3-cyclopropyl-1,2,4-thiadiazol-5-amine has a molecular weight of 141.20 g/mol, XLogP of 1.00, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 23092533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).