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

C8H13N3S — CID 82406960

IUPAC2-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)propan-2-amine
SMILESCC(C)(N)c1nc(C2CC2)ns1
InChIInChI=1S/C8H13N3S/c1-8(2,9)7-10-6(11-12-7)5-3-4-5/h5H,3-4,9H2,1-2H3
InChIKeyHYDNDEZMIDLKDG-UHFFFAOYSA-N
MW183.28 g/mol
LogP1.61
Rot. Bonds2

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

2-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)propan-2-amine (PubChem CID 82406960) has the molecular formula C8H13N3S and a molecular weight of 183.28 g/mol. Its IUPAC name is 2-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)propan-2-amine.

Molecular Properties

Compound Name2-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)propan-2-amine
PubChem CID82406960
Molecular FormulaC8H13N3S
Molecular Weight183.28 g/mol
Exact Mass183.08
IUPAC Name2-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)propan-2-amine
SMILESCC(C)(N)c1nc(C2CC2)ns1
InChIInChI=1S/C8H13N3S/c1-8(2,9)7-10-6(11-12-7)5-3-4-5/h5H,3-4,9H2,1-2H3
InChIKeyHYDNDEZMIDLKDG-UHFFFAOYSA-N
XLogP1.61
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-Methyl-1,2,4-thiadiazol-5-yl)propan-2-amine
CID 86674740
2-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]butan-2-amine
CID 130545503
1-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]cyclopropan-1-amine
CID 130545925
5-Propan-2-yl-3-propyl-1,2,4-thiadiazole
CID 20605584
3-Cyclopropyl-5-propan-2-yl-1,2,4-thiadiazole
CID 59945716
3-Cyclopropyl-5-methyl-1,2,4-thiadiazole
CID 90400212
5-Cyclopropyl-3-methyl-1,2,4-thiadiazole
CID 91244330
2-(5-Methyl-1,2,4-thiadiazol-3-yl)propan-2-amine
CID 96634536
3-Propan-2-yl-5-propyl-1,2,4-thiadiazole
CID 129191458
5-Tert-butyl-3-cyclopropyl-1,2,4-thiadiazole
CID 137470822
1-[3-(Propan-2-yl)-1,2,4-thiadiazol-5-yl]methanamine
CID 137510101
3-Propan-2-yl-1,2,4-thiadiazole-5-carboximidamide;hydrochloride
CID 141354164

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)propan-2-amine?
The IUPAC name of 2-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)propan-2-amine (CID 82406960) is 2-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)propan-2-amine.
What is the SMILES notation for 2-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)propan-2-amine?
The canonical SMILES for 2-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)propan-2-amine is CC(C)(N)c1nc(C2CC2)ns1.
What is the InChIKey of 2-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)propan-2-amine?
The InChIKey is HYDNDEZMIDLKDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3S/c1-8(2,9)7-10-6(11-12-7)5-3-4-5/h5H,3-4,9H2,1-2H3.
What are the key properties of 2-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)propan-2-amine?
2-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)propan-2-amine has a molecular weight of 183.28 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)propan-2-amine is sourced from PubChem (CID 82406960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).