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

C8H13N3S — CID 65269283

IUPAC3-cyclopropyl-N-propan-2-yl-1,2,4-thiadiazol-5-amine
SMILESCC(C)Nc1nc(C2CC2)ns1
InChIInChI=1S/C8H13N3S/c1-5(2)9-8-10-7(11-12-8)6-3-4-6/h5-6H,3-4H2,1-2H3,(H,9,10,11)
InChIKeyMLMFRJZAHAPIPR-UHFFFAOYSA-N
MW183.28 g/mol
LogP2.24
Rot. Bonds3

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

3-cyclopropyl-N-propan-2-yl-1,2,4-thiadiazol-5-amine (PubChem CID 65269283) has the molecular formula C8H13N3S and a molecular weight of 183.28 g/mol. Its IUPAC name is 3-cyclopropyl-N-propan-2-yl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-cyclopropyl-N-propan-2-yl-1,2,4-thiadiazol-5-amine
PubChem CID65269283
Molecular FormulaC8H13N3S
Molecular Weight183.28 g/mol
Exact Mass183.08
IUPAC Name3-cyclopropyl-N-propan-2-yl-1,2,4-thiadiazol-5-amine
SMILESCC(C)Nc1nc(C2CC2)ns1
InChIInChI=1S/C8H13N3S/c1-5(2)9-8-10-7(11-12-8)6-3-4-6/h5-6H,3-4H2,1-2H3,(H,9,10,11)
InChIKeyMLMFRJZAHAPIPR-UHFFFAOYSA-N
XLogP2.24
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-3-cyclopropyl-1,2,4-thiadiazol-5-amine
CID 65272088
N-(3-ethyl-1,2,4-thiadiazol-5-yl)-N'-pentan-3-ylethane-1,2-diamine
CID 125423962
N-[(1-bromocyclopropyl)methyl]-3-ethyl-1,2,4-thiadiazol-5-amine
CID 132364818
N-cyclohexyl-3-methyl-1,2,4-thiadiazol-5-amine
CID 12725102
3-methyl-N-propyl-1,2,4-thiadiazol-5-amine
CID 65269099
N-(2-methylpropyl)-3-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine
CID 65267701
N-propan-2-yl-3-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine
CID 65268712
N-cyclopropyl-3-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine
CID 65269174
3-cyclopropyl-N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine
CID 65271026
3-propan-2-yl-N-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine
CID 65274381
3-cyclopropyl-N-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine
CID 65274435
3-propyl-N-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine
CID 65274436

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-propan-2-yl-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-cyclopropyl-N-propan-2-yl-1,2,4-thiadiazol-5-amine (CID 65269283) is 3-cyclopropyl-N-propan-2-yl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-cyclopropyl-N-propan-2-yl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-cyclopropyl-N-propan-2-yl-1,2,4-thiadiazol-5-amine is CC(C)Nc1nc(C2CC2)ns1.
What is the InChIKey of 3-cyclopropyl-N-propan-2-yl-1,2,4-thiadiazol-5-amine?
The InChIKey is MLMFRJZAHAPIPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3S/c1-5(2)9-8-10-7(11-12-8)6-3-4-6/h5-6H,3-4H2,1-2H3,(H,9,10,11).
What are the key properties of 3-cyclopropyl-N-propan-2-yl-1,2,4-thiadiazol-5-amine?
3-cyclopropyl-N-propan-2-yl-1,2,4-thiadiazol-5-amine has a molecular weight of 183.28 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-propan-2-yl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65269283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).