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

C12H14ClN3S — CID 133358278

IUPACN-[2-(3-chlorophenyl)ethyl]-3-ethyl-1,2,4-thiadiazol-5-amine
SMILESCCc1nsc(NCCc2cccc(Cl)c2)n1
InChIInChI=1S/C12H14ClN3S/c1-2-11-15-12(17-16-11)14-7-6-9-4-3-5-10(13)8-9/h3-5,8H,2,6-7H2,1H3,(H,14,15,16)
InChIKeyJDOLIHVCDYXURS-UHFFFAOYSA-N
MW267.79 g/mol
LogP3.41
Rot. Bonds5

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

N-[2-(3-chlorophenyl)ethyl]-3-ethyl-1,2,4-thiadiazol-5-amine (PubChem CID 133358278) has the molecular formula C12H14ClN3S and a molecular weight of 267.79 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-3-ethyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-3-ethyl-1,2,4-thiadiazol-5-amine
PubChem CID133358278
Molecular FormulaC12H14ClN3S
Molecular Weight267.79 g/mol
Exact Mass267.06
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-3-ethyl-1,2,4-thiadiazol-5-amine
SMILESCCc1nsc(NCCc2cccc(Cl)c2)n1
InChIInChI=1S/C12H14ClN3S/c1-2-11-15-12(17-16-11)14-7-6-9-4-3-5-10(13)8-9/h3-5,8H,2,6-7H2,1H3,(H,14,15,16)
InChIKeyJDOLIHVCDYXURS-UHFFFAOYSA-N
XLogP3.41
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.79
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-3-ethyl-1,2,4-thiadiazol-5-amine
CID 65277041
N-[2-(4-chlorophenyl)ethyl]-3-propyl-1,2,4-thiadiazol-5-amine
CID 65277040
N-[2-(3-chlorophenyl)ethyl]-4,6-dimethylpyrimidin-2-amine
CID 78845412
N-[(3-aminophenyl)methyl]-3-ethyl-1,2,4-thiadiazol-5-amine
CID 65275975
N-(4-chlorobutyl)-3-ethyl-1,2,4-thiadiazol-5-amine
CID 106845066
N-[2-(1,3-benzothiazol-2-yl)ethyl]-3-ethyl-1,2,4-thiadiazol-5-amine
CID 133426341
3-ethyl-N-(2-fluoroethyl)-1,2,4-thiadiazol-5-amine
CID 130478087
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-propyl-1,2,4-thiadiazol-5-amine
CID 65271428
N-[2-(2-bromo-5-chlorophenyl)ethyl]-3-(methoxymethyl)-1,2,4-thiadiazol-5-amine
CID 133387521
3-[[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]methyl]-N-methylbenzamide
CID 133335514
3-N-[2-(3-chlorophenyl)ethyl]-5-N-propyl-1,2,4-triazine-3,5-diamine
CID 112938377
N'-[3-[(3-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine
CID 66879142

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-3-ethyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-3-ethyl-1,2,4-thiadiazol-5-amine (CID 133358278) is N-[2-(3-chlorophenyl)ethyl]-3-ethyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-3-ethyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-3-ethyl-1,2,4-thiadiazol-5-amine is CCc1nsc(NCCc2cccc(Cl)c2)n1.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-3-ethyl-1,2,4-thiadiazol-5-amine?
The InChIKey is JDOLIHVCDYXURS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3S/c1-2-11-15-12(17-16-11)14-7-6-9-4-3-5-10(13)8-9/h3-5,8H,2,6-7H2,1H3,(H,14,15,16).
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-3-ethyl-1,2,4-thiadiazol-5-amine?
N-[2-(3-chlorophenyl)ethyl]-3-ethyl-1,2,4-thiadiazol-5-amine has a molecular weight of 267.79 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)ethyl]-3-ethyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 133358278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).