N-(5-chloropentyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine

C10H18ClN3S — CID 107320621

IUPACN-(5-chloropentyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
SMILESCC(C)c1nsc(NCCCCCCl)n1
InChIInChI=1S/C10H18ClN3S/c1-8(2)9-13-10(15-14-9)12-7-5-3-4-6-11/h8H,3-7H2,1-2H3,(H,12,13,14)
InChIKeyYVKRIRPMMDJIPN-UHFFFAOYSA-N
MW247.79 g/mol
LogP3.48
Rot. Bonds7

About N-(5-chloropentyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine

N-(5-chloropentyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine (PubChem CID 107320621) has the molecular formula C10H18ClN3S and a molecular weight of 247.79 g/mol. Its IUPAC name is N-(5-chloropentyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(5-chloropentyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
PubChem CID107320621
Molecular FormulaC10H18ClN3S
Molecular Weight247.79 g/mol
Exact Mass247.09
IUPAC NameN-(5-chloropentyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
SMILESCC(C)c1nsc(NCCCCCCl)n1
InChIInChI=1S/C10H18ClN3S/c1-8(2)9-13-10(15-14-9)12-7-5-3-4-6-11/h8H,3-7H2,1-2H3,(H,12,13,14)
InChIKeyYVKRIRPMMDJIPN-UHFFFAOYSA-N
XLogP3.48
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.79
LogP ≤ 53.48
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-(5-chloro-4-methylpentyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 106154768
N-(5-methylsulfanylpentyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 104925633
3-propan-2-yl-N-propyl-1,2,4-thiadiazol-5-amine
CID 65269095
N-(4-chlorobutyl)-3-ethyl-1,2,4-thiadiazol-5-amine
CID 106845066
N-(3-phenoxypropyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 65276914
N-(2-methylsulfanylethyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 65274566
N-(3-chloropropyl)-3-methyl-1,2,4-thiadiazol-5-amine
CID 65273352
N-[3-(4-methylpiperidin-1-yl)propyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 133358721
N'-methyl-N'-phenyl-N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine
CID 65270963
3-propan-2-yl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1,2,4-thiadiazol-5-amine
CID 65274344
N-propan-2-yl-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propanamide
CID 113247405
N-[2-(4-methylcyclohexyl)ethyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 65273820

Frequently Asked Questions

What is the IUPAC name of N-(5-chloropentyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(5-chloropentyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine (CID 107320621) is N-(5-chloropentyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(5-chloropentyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(5-chloropentyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine is CC(C)c1nsc(NCCCCCCl)n1.
What is the InChIKey of N-(5-chloropentyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
The InChIKey is YVKRIRPMMDJIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClN3S/c1-8(2)9-13-10(15-14-9)12-7-5-3-4-6-11/h8H,3-7H2,1-2H3,(H,12,13,14).
What are the key properties of N-(5-chloropentyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
N-(5-chloropentyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine has a molecular weight of 247.79 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloropentyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 107320621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).