3-ethyl-N-(2-propylcyclopropyl)-1,2,4-thiadiazol-5-amine

C10H17N3S — CID 103736671

IUPAC3-ethyl-N-(2-propylcyclopropyl)-1,2,4-thiadiazol-5-amine
SMILESCCCC1CC1Nc1nc(CC)ns1
InChIInChI=1S/C10H17N3S/c1-3-5-7-6-8(7)11-10-12-9(4-2)13-14-10/h7-8H,3-6H2,1-2H3,(H,11,12,13)
InChIKeyXKMGXSKGABAWAE-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.70
Rot. Bonds5

About 3-ethyl-N-(2-propylcyclopropyl)-1,2,4-thiadiazol-5-amine

3-ethyl-N-(2-propylcyclopropyl)-1,2,4-thiadiazol-5-amine (PubChem CID 103736671) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is 3-ethyl-N-(2-propylcyclopropyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-ethyl-N-(2-propylcyclopropyl)-1,2,4-thiadiazol-5-amine
PubChem CID103736671
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC Name3-ethyl-N-(2-propylcyclopropyl)-1,2,4-thiadiazol-5-amine
SMILESCCCC1CC1Nc1nc(CC)ns1
InChIInChI=1S/C10H17N3S/c1-3-5-7-6-8(7)11-10-12-9(4-2)13-14-10/h7-8H,3-6H2,1-2H3,(H,11,12,13)
InChIKeyXKMGXSKGABAWAE-UHFFFAOYSA-N
XLogP2.70
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-N-(2-ethylcyclopropyl)-1,2,4-thiadiazol-5-amine
CID 103736542
N-[(1R,2S)-2-cyclopropylcyclopropyl]-3-ethyl-1,2,4-thiadiazol-5-amine
CID 130758070
N-(2-propylcyclopropyl)-1,2,4-thiadiazol-5-amine
CID 103865940
N-[(1R,2R,3R)-3-ethoxy-2-methoxycyclobutyl]-3-ethyl-1,2,4-thiadiazol-5-amine
CID 97307566
N-[(1R,2S,3R)-3-ethoxy-2-methoxycyclobutyl]-3-ethyl-1,2,4-thiadiazol-5-amine
CID 98870976
2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]cyclohexane-1-carboxylic acid
CID 65270845
N-(1,3-dimethylpiperidin-4-yl)-3-ethyl-1,2,4-thiadiazol-5-amine
CID 115886007
N-(3-methylcyclopentyl)-3-propyl-1,2,4-thiadiazol-5-amine
CID 114547755
3-ethyl-N-[(3-methylcyclobutyl)methyl]-1,2,4-thiadiazol-5-amine
CID 164660260
N-(2-propylcyclopropyl)pyrimidin-2-amine
CID 103710927
ethyl 3-[2-[(2-propylcyclopropyl)amino]-1,3-thiazol-4-yl]propanoate
CID 114112567
3-ethyl-N-(3-morpholin-4-ylcyclobutyl)-1,2,4-thiadiazol-5-amine
CID 125423819

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(2-propylcyclopropyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-ethyl-N-(2-propylcyclopropyl)-1,2,4-thiadiazol-5-amine (CID 103736671) is 3-ethyl-N-(2-propylcyclopropyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-ethyl-N-(2-propylcyclopropyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-ethyl-N-(2-propylcyclopropyl)-1,2,4-thiadiazol-5-amine is CCCC1CC1Nc1nc(CC)ns1.
What is the InChIKey of 3-ethyl-N-(2-propylcyclopropyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is XKMGXSKGABAWAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S/c1-3-5-7-6-8(7)11-10-12-9(4-2)13-14-10/h7-8H,3-6H2,1-2H3,(H,11,12,13).
What are the key properties of 3-ethyl-N-(2-propylcyclopropyl)-1,2,4-thiadiazol-5-amine?
3-ethyl-N-(2-propylcyclopropyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 211.33 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(2-propylcyclopropyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 103736671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).