N-(2-chloro-2-cyclopropylethyl)-3-cyclopropyl-1,2,4-thiadiazol-5-amine

C10H14ClN3S — CID 65277411

IUPACN-(2-chloro-2-cyclopropylethyl)-3-cyclopropyl-1,2,4-thiadiazol-5-amine
SMILESClC(CNc1nc(C2CC2)ns1)C1CC1
InChIInChI=1S/C10H14ClN3S/c11-8(6-1-2-6)5-12-10-13-9(14-15-10)7-3-4-7/h6-8H,1-5H2,(H,12,13,14)
InChIKeyOWVANHOJAKTSLX-UHFFFAOYSA-N
MW243.76 g/mol
LogP2.84
Rot. Bonds5

About N-(2-chloro-2-cyclopropylethyl)-3-cyclopropyl-1,2,4-thiadiazol-5-amine

N-(2-chloro-2-cyclopropylethyl)-3-cyclopropyl-1,2,4-thiadiazol-5-amine (PubChem CID 65277411) has the molecular formula C10H14ClN3S and a molecular weight of 243.76 g/mol. Its IUPAC name is N-(2-chloro-2-cyclopropylethyl)-3-cyclopropyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(2-chloro-2-cyclopropylethyl)-3-cyclopropyl-1,2,4-thiadiazol-5-amine
PubChem CID65277411
Molecular FormulaC10H14ClN3S
Molecular Weight243.76 g/mol
Exact Mass243.06
IUPAC NameN-(2-chloro-2-cyclopropylethyl)-3-cyclopropyl-1,2,4-thiadiazol-5-amine
SMILESClC(CNc1nc(C2CC2)ns1)C1CC1
InChIInChI=1S/C10H14ClN3S/c11-8(6-1-2-6)5-12-10-13-9(14-15-10)7-3-4-7/h6-8H,1-5H2,(H,12,13,14)
InChIKeyOWVANHOJAKTSLX-UHFFFAOYSA-N
XLogP2.84
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.76
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-cyclopropyl-2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethanol
CID 65274384
1-N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)propane-1,2-diamine
CID 65275684
3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-2-methylpropanoic acid
CID 65270826
3-cyclopropyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-1,2,4-thiadiazol-5-amine
CID 65276766
1-N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2-methylpropane-1,2-diamine
CID 115303698
N-methyl-3-(4-propan-2-ylcyclohexyl)-1,2,4-thiadiazol-5-amine
CID 65400592
1-cyclopropyl-N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine
CID 65276177
1-[2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethylamino]propan-2-ol
CID 104594431
3-cyclopropyl-N-(2-methyl-3-piperidin-1-ylpropyl)-1,2,4-thiadiazol-5-amine
CID 65271588
3-cyclopropyl-N-(3-methylsulfinylbutyl)-1,2,4-thiadiazol-5-amine
CID 115715825
1-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-3-morpholin-4-ylpropan-2-ol
CID 133383166
N-tert-butyl-3-cyclopropyl-1,2,4-thiadiazol-5-amine
CID 65268446

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-2-cyclopropylethyl)-3-cyclopropyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(2-chloro-2-cyclopropylethyl)-3-cyclopropyl-1,2,4-thiadiazol-5-amine (CID 65277411) is N-(2-chloro-2-cyclopropylethyl)-3-cyclopropyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(2-chloro-2-cyclopropylethyl)-3-cyclopropyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(2-chloro-2-cyclopropylethyl)-3-cyclopropyl-1,2,4-thiadiazol-5-amine is ClC(CNc1nc(C2CC2)ns1)C1CC1.
What is the InChIKey of N-(2-chloro-2-cyclopropylethyl)-3-cyclopropyl-1,2,4-thiadiazol-5-amine?
The InChIKey is OWVANHOJAKTSLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3S/c11-8(6-1-2-6)5-12-10-13-9(14-15-10)7-3-4-7/h6-8H,1-5H2,(H,12,13,14).
What are the key properties of N-(2-chloro-2-cyclopropylethyl)-3-cyclopropyl-1,2,4-thiadiazol-5-amine?
N-(2-chloro-2-cyclopropylethyl)-3-cyclopropyl-1,2,4-thiadiazol-5-amine has a molecular weight of 243.76 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-2-cyclopropylethyl)-3-cyclopropyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65277411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).