[5-(1-ethylcyclopropyl)-1,3,4-thiadiazol-2-yl]methanamine

C8H13N3S — CID 130553926

IUPAC[5-(1-ethylcyclopropyl)-1,3,4-thiadiazol-2-yl]methanamine
SMILESCCC1(c2nnc(CN)s2)CC1
InChIInChI=1S/C8H13N3S/c1-2-8(3-4-8)7-11-10-6(5-9)12-7/h2-5,9H2,1H3
InChIKeyLYIBXYABKJEVDZ-UHFFFAOYSA-N
MW183.28 g/mol
LogP1.44
Rot. Bonds3

About [5-(1-ethylcyclopropyl)-1,3,4-thiadiazol-2-yl]methanamine

[5-(1-ethylcyclopropyl)-1,3,4-thiadiazol-2-yl]methanamine (PubChem CID 130553926) has the molecular formula C8H13N3S and a molecular weight of 183.28 g/mol. Its IUPAC name is [5-(1-ethylcyclopropyl)-1,3,4-thiadiazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-(1-ethylcyclopropyl)-1,3,4-thiadiazol-2-yl]methanamine
PubChem CID130553926
Molecular FormulaC8H13N3S
Molecular Weight183.28 g/mol
Exact Mass183.08
IUPAC Name[5-(1-ethylcyclopropyl)-1,3,4-thiadiazol-2-yl]methanamine
SMILESCCC1(c2nnc(CN)s2)CC1
InChIInChI=1S/C8H13N3S/c1-2-8(3-4-8)7-11-10-6(5-9)12-7/h2-5,9H2,1H3
InChIKeyLYIBXYABKJEVDZ-UHFFFAOYSA-N
XLogP1.44
TPSA51.80 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 ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(2-methyloxan-2-yl)-1,3,4-thiadiazol-2-yl]methanamine
CID 115028471
2-(1-ethylcyclopropyl)-1,3,4-thiadiazole
CID 90687772
(5-methyl-1,3,4-thiadiazol-2-yl)methanamine;hydrochloride
CID 11615231
[1-(4,5-dimethyl-1,3-thiazol-2-yl)cyclopropyl]methanamine
CID 82407544
[1-(4-methyl-2-propyl-1,3-thiazol-5-yl)cyclopropyl]methanamine
CID 116886887
N-[2-[5-(1-methylcyclohexyl)-1,3,4-thiadiazol-2-yl]ethyl]propan-1-amine
CID 106829297
[1-(thiatriazol-5-yl)cyclopropyl]methanamine
CID 116985771
ethyl 5-(aminomethyl)-1,3,4-thiadiazole-2-carboxylate;hydrochloride
CID 146082356
[5-(4-propylphenyl)-1,3,4-thiadiazol-2-yl]methanamine
CID 82360100
[4-ethyl-2-(1-methylcyclopropyl)-1,3-thiazol-5-yl]methanamine
CID 104840968
1-(5-methyl-1,3,4-thiadiazol-2-yl)cyclopropan-1-amine
CID 126980410
[1-(4-ethyl-1,3-thiazol-2-yl)cyclopentyl]methanamine
CID 83703000

Frequently Asked Questions

What is the IUPAC name of [5-(1-ethylcyclopropyl)-1,3,4-thiadiazol-2-yl]methanamine?
The IUPAC name of [5-(1-ethylcyclopropyl)-1,3,4-thiadiazol-2-yl]methanamine (CID 130553926) is [5-(1-ethylcyclopropyl)-1,3,4-thiadiazol-2-yl]methanamine.
What is the SMILES notation for [5-(1-ethylcyclopropyl)-1,3,4-thiadiazol-2-yl]methanamine?
The canonical SMILES for [5-(1-ethylcyclopropyl)-1,3,4-thiadiazol-2-yl]methanamine is CCC1(c2nnc(CN)s2)CC1.
What is the InChIKey of [5-(1-ethylcyclopropyl)-1,3,4-thiadiazol-2-yl]methanamine?
The InChIKey is LYIBXYABKJEVDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3S/c1-2-8(3-4-8)7-11-10-6(5-9)12-7/h2-5,9H2,1H3.
What are the key properties of [5-(1-ethylcyclopropyl)-1,3,4-thiadiazol-2-yl]methanamine?
[5-(1-ethylcyclopropyl)-1,3,4-thiadiazol-2-yl]methanamine has a molecular weight of 183.28 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1-ethylcyclopropyl)-1,3,4-thiadiazol-2-yl]methanamine is sourced from PubChem (CID 130553926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).