N-(3-chloropropyl)-3-methyl-1,2,4-thiadiazol-5-amine

C6H10ClN3S — CID 65273352

IUPACN-(3-chloropropyl)-3-methyl-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(NCCCCl)n1
InChIInChI=1S/C6H10ClN3S/c1-5-9-6(11-10-5)8-4-2-3-7/h2-4H2,1H3,(H,8,9,10)
InChIKeyJVSFQRFWTMXGFJ-UHFFFAOYSA-N
MW191.69 g/mol
LogP1.89
Rot. Bonds4

About N-(3-chloropropyl)-3-methyl-1,2,4-thiadiazol-5-amine

N-(3-chloropropyl)-3-methyl-1,2,4-thiadiazol-5-amine (PubChem CID 65273352) has the molecular formula C6H10ClN3S and a molecular weight of 191.69 g/mol. Its IUPAC name is N-(3-chloropropyl)-3-methyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(3-chloropropyl)-3-methyl-1,2,4-thiadiazol-5-amine
PubChem CID65273352
Molecular FormulaC6H10ClN3S
Molecular Weight191.69 g/mol
Exact Mass191.03
IUPAC NameN-(3-chloropropyl)-3-methyl-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(NCCCCl)n1
InChIInChI=1S/C6H10ClN3S/c1-5-9-6(11-10-5)8-4-2-3-7/h2-4H2,1H3,(H,8,9,10)
InChIKeyJVSFQRFWTMXGFJ-UHFFFAOYSA-N
XLogP1.89
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.69
LogP ≤ 51.89
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-(2-chloroethyl)-3-methyl-1,2,4-thiadiazol-5-amine
CID 65273353
N-(4-chloropentyl)-3-methyl-1,2,4-thiadiazol-5-amine
CID 106124940
N'-(3-methyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine
CID 65267731
3-methyl-N-(7-methyloctyl)-1,2,4-thiadiazol-5-amine
CID 107816082
3-methyl-N-(3-methylsulfinylpropyl)-1,2,4-thiadiazol-5-amine
CID 115657519
5-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]pentan-2-ol
CID 107269261
N-(4-chlorobutyl)-3-ethyl-1,2,4-thiadiazol-5-amine
CID 106845066
3-methyl-N-(3-propoxypropyl)-1,2,4-thiadiazol-5-amine
CID 82943965
N-(2-ethylsulfonylethyl)-3-methyl-1,2,4-thiadiazol-5-amine
CID 103894511
3-methyl-N-(2-methylsulfinylethyl)-1,2,4-thiadiazol-5-amine
CID 115657618
N-(5-chloropentyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 107320621
3-methyl-N-(2-phenoxyethyl)-1,2,4-thiadiazol-5-amine
CID 65267869

Frequently Asked Questions

What is the IUPAC name of N-(3-chloropropyl)-3-methyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(3-chloropropyl)-3-methyl-1,2,4-thiadiazol-5-amine (CID 65273352) is N-(3-chloropropyl)-3-methyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(3-chloropropyl)-3-methyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(3-chloropropyl)-3-methyl-1,2,4-thiadiazol-5-amine is Cc1nsc(NCCCCl)n1.
What is the InChIKey of N-(3-chloropropyl)-3-methyl-1,2,4-thiadiazol-5-amine?
The InChIKey is JVSFQRFWTMXGFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10ClN3S/c1-5-9-6(11-10-5)8-4-2-3-7/h2-4H2,1H3,(H,8,9,10).
What are the key properties of N-(3-chloropropyl)-3-methyl-1,2,4-thiadiazol-5-amine?
N-(3-chloropropyl)-3-methyl-1,2,4-thiadiazol-5-amine has a molecular weight of 191.69 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloropropyl)-3-methyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65273352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).