N-[(1-cyclopropylcyclopropyl)methyl]-3-ethyl-1,2,4-thiadiazol-5-amine

C11H17N3S — CID 103837652

IUPACN-[(1-cyclopropylcyclopropyl)methyl]-3-ethyl-1,2,4-thiadiazol-5-amine
SMILESCCc1nsc(NCC2(C3CC3)CC2)n1
InChIInChI=1S/C11H17N3S/c1-2-9-13-10(15-14-9)12-7-11(5-6-11)8-3-4-8/h8H,2-7H2,1H3,(H,12,13,14)
InChIKeyZBJPGMYDRXOETN-UHFFFAOYSA-N
MW223.34 g/mol
LogP2.70
Rot. Bonds5

About N-[(1-cyclopropylcyclopropyl)methyl]-3-ethyl-1,2,4-thiadiazol-5-amine

N-[(1-cyclopropylcyclopropyl)methyl]-3-ethyl-1,2,4-thiadiazol-5-amine (PubChem CID 103837652) has the molecular formula C11H17N3S and a molecular weight of 223.34 g/mol. Its IUPAC name is N-[(1-cyclopropylcyclopropyl)methyl]-3-ethyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[(1-cyclopropylcyclopropyl)methyl]-3-ethyl-1,2,4-thiadiazol-5-amine
PubChem CID103837652
Molecular FormulaC11H17N3S
Molecular Weight223.34 g/mol
Exact Mass223.11
IUPAC NameN-[(1-cyclopropylcyclopropyl)methyl]-3-ethyl-1,2,4-thiadiazol-5-amine
SMILESCCc1nsc(NCC2(C3CC3)CC2)n1
InChIInChI=1S/C11H17N3S/c1-2-9-13-10(15-14-9)12-7-11(5-6-11)8-3-4-8/h8H,2-7H2,1H3,(H,12,13,14)
InChIKeyZBJPGMYDRXOETN-UHFFFAOYSA-N
XLogP2.70
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclopentyl]methanol
CID 115360719
4-[[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]methyl]oxane-4-carboxylic acid
CID 115438822
3-ethyl-N-[(3-methoxyoxolan-3-yl)methyl]-1,2,4-thiadiazol-5-amine
CID 104705508
2-[1-[[(3-propyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclopropyl]ethanol
CID 114757150
1-cyclopropyl-N'-(3-ethyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine
CID 65277654
N-(2-cyclohexylethyl)-3-ethyl-1,2,4-thiadiazol-5-amine
CID 65271632
N-(2-cyclopentyloxyethyl)-3-ethyl-1,2,4-thiadiazol-5-amine
CID 65273869
3-ethyl-N-[(3-methylcyclobutyl)methyl]-1,2,4-thiadiazol-5-amine
CID 164660260
2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]acetonitrile
CID 131134565
3-ethyl-N-(2-fluoroethyl)-1,2,4-thiadiazol-5-amine
CID 130478087
N'-cyclopropyl-N'-ethyl-N-(3-ethyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine
CID 103739545
3-ethyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-1,2,4-thiadiazol-5-amine
CID 104973321

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopropylcyclopropyl)methyl]-3-ethyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[(1-cyclopropylcyclopropyl)methyl]-3-ethyl-1,2,4-thiadiazol-5-amine (CID 103837652) is N-[(1-cyclopropylcyclopropyl)methyl]-3-ethyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[(1-cyclopropylcyclopropyl)methyl]-3-ethyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[(1-cyclopropylcyclopropyl)methyl]-3-ethyl-1,2,4-thiadiazol-5-amine is CCc1nsc(NCC2(C3CC3)CC2)n1.
What is the InChIKey of N-[(1-cyclopropylcyclopropyl)methyl]-3-ethyl-1,2,4-thiadiazol-5-amine?
The InChIKey is ZBJPGMYDRXOETN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3S/c1-2-9-13-10(15-14-9)12-7-11(5-6-11)8-3-4-8/h8H,2-7H2,1H3,(H,12,13,14).
What are the key properties of N-[(1-cyclopropylcyclopropyl)methyl]-3-ethyl-1,2,4-thiadiazol-5-amine?
N-[(1-cyclopropylcyclopropyl)methyl]-3-ethyl-1,2,4-thiadiazol-5-amine has a molecular weight of 223.34 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 N-[(1-cyclopropylcyclopropyl)methyl]-3-ethyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 103837652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).