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

C8H13N3S — CID 130545949

IUPAC1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)cyclopropan-1-amine
SMILESCC(C)c1nsc(C2(N)CC2)n1
InChIInChI=1S/C8H13N3S/c1-5(2)6-10-7(12-11-6)8(9)3-4-8/h5H,3-4,9H2,1-2H3
InChIKeyZBGVJTWEDDXJNH-UHFFFAOYSA-N
MW183.28 g/mol
LogP1.61
Rot. Bonds2

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

1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)cyclopropan-1-amine (PubChem CID 130545949) has the molecular formula C8H13N3S and a molecular weight of 183.28 g/mol. Its IUPAC name is 1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)cyclopropan-1-amine
PubChem CID130545949
Molecular FormulaC8H13N3S
Molecular Weight183.28 g/mol
Exact Mass183.08
IUPAC Name1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)cyclopropan-1-amine
SMILESCC(C)c1nsc(C2(N)CC2)n1
InChIInChI=1S/C8H13N3S/c1-5(2)6-10-7(12-11-6)8(9)3-4-8/h5H,3-4,9H2,1-2H3
InChIKeyZBGVJTWEDDXJNH-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 1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)cyclopropan-1-amine?
The IUPAC name of 1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)cyclopropan-1-amine (CID 130545949) is 1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)cyclopropan-1-amine.
What is the SMILES notation for 1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)cyclopropan-1-amine?
The canonical SMILES for 1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)cyclopropan-1-amine is CC(C)c1nsc(C2(N)CC2)n1.
What is the InChIKey of 1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)cyclopropan-1-amine?
The InChIKey is ZBGVJTWEDDXJNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3S/c1-5(2)6-10-7(12-11-6)8(9)3-4-8/h5H,3-4,9H2,1-2H3.
What are the key properties of 1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)cyclopropan-1-amine?
1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)cyclopropan-1-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 1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)cyclopropan-1-amine is sourced from PubChem (CID 130545949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).