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

C8H14ClN3S — CID 106845066

IUPACN-(4-chlorobutyl)-3-ethyl-1,2,4-thiadiazol-5-amine
SMILESCCc1nsc(NCCCCCl)n1
InChIInChI=1S/C8H14ClN3S/c1-2-7-11-8(13-12-7)10-6-4-3-5-9/h2-6H2,1H3,(H,10,11,12)
InChIKeyRNWZWRADFCBUKO-UHFFFAOYSA-N
MW219.74 g/mol
LogP2.53
Rot. Bonds6

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

N-(4-chlorobutyl)-3-ethyl-1,2,4-thiadiazol-5-amine (PubChem CID 106845066) has the molecular formula C8H14ClN3S and a molecular weight of 219.74 g/mol. Its IUPAC name is N-(4-chlorobutyl)-3-ethyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(4-chlorobutyl)-3-ethyl-1,2,4-thiadiazol-5-amine
PubChem CID106845066
Molecular FormulaC8H14ClN3S
Molecular Weight219.74 g/mol
Exact Mass219.06
IUPAC NameN-(4-chlorobutyl)-3-ethyl-1,2,4-thiadiazol-5-amine
SMILESCCc1nsc(NCCCCCl)n1
InChIInChI=1S/C8H14ClN3S/c1-2-7-11-8(13-12-7)10-6-4-3-5-9/h2-6H2,1H3,(H,10,11,12)
InChIKeyRNWZWRADFCBUKO-UHFFFAOYSA-N
XLogP2.53
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.74
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(3-ethyl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine
CID 65272512
N-[2-(2-chloroethoxy)ethyl]-3-ethyl-1,2,4-thiadiazol-5-amine
CID 65277932
3-ethyl-N-(4-methylpentyl)-1,2,4-thiadiazol-5-amine
CID 65271707
3-ethyl-N-(2-fluoroethyl)-1,2,4-thiadiazol-5-amine
CID 130478087
N-(5-chloropentyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 107320621
N-(3-chloropropyl)-3-methyl-1,2,4-thiadiazol-5-amine
CID 65273352
3-ethyl-N-(4-imidazol-1-ylbutyl)-1,2,4-thiadiazol-5-amine
CID 65277183
N-[2-(4-chlorophenyl)ethyl]-3-ethyl-1,2,4-thiadiazol-5-amine
CID 65277041
N-[2-(3-chlorophenyl)ethyl]-3-ethyl-1,2,4-thiadiazol-5-amine
CID 133358278
2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]acetonitrile
CID 131134565
N'-(3-ethyl-1,2,4-thiadiazol-5-yl)-N-(2-methoxyethyl)ethane-1,2-diamine
CID 83039936
N-(2-cyclohexylethyl)-3-ethyl-1,2,4-thiadiazol-5-amine
CID 65271632

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorobutyl)-3-ethyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(4-chlorobutyl)-3-ethyl-1,2,4-thiadiazol-5-amine (CID 106845066) is N-(4-chlorobutyl)-3-ethyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(4-chlorobutyl)-3-ethyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(4-chlorobutyl)-3-ethyl-1,2,4-thiadiazol-5-amine is CCc1nsc(NCCCCCl)n1.
What is the InChIKey of N-(4-chlorobutyl)-3-ethyl-1,2,4-thiadiazol-5-amine?
The InChIKey is RNWZWRADFCBUKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClN3S/c1-2-7-11-8(13-12-7)10-6-4-3-5-9/h2-6H2,1H3,(H,10,11,12).
What are the key properties of N-(4-chlorobutyl)-3-ethyl-1,2,4-thiadiazol-5-amine?
N-(4-chlorobutyl)-3-ethyl-1,2,4-thiadiazol-5-amine has a molecular weight of 219.74 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorobutyl)-3-ethyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 106845066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).