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

C11H21N3S2 — CID 104925633

IUPACN-(5-methylsulfanylpentyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
SMILESCSCCCCCNc1nc(C(C)C)ns1
InChIInChI=1S/C11H21N3S2/c1-9(2)10-13-11(16-14-10)12-7-5-4-6-8-15-3/h9H,4-8H2,1-3H3,(H,12,13,14)
InChIKeyBNWDOMGCDNIIHA-UHFFFAOYSA-N
MW259.44 g/mol
LogP3.61
Rot. Bonds8

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

N-(5-methylsulfanylpentyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine (PubChem CID 104925633) has the molecular formula C11H21N3S2 and a molecular weight of 259.44 g/mol. Its IUPAC name is N-(5-methylsulfanylpentyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(5-methylsulfanylpentyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
PubChem CID104925633
Molecular FormulaC11H21N3S2
Molecular Weight259.44 g/mol
Exact Mass259.12
IUPAC NameN-(5-methylsulfanylpentyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
SMILESCSCCCCCNc1nc(C(C)C)ns1
InChIInChI=1S/C11H21N3S2/c1-9(2)10-13-11(16-14-10)12-7-5-4-6-8-15-3/h9H,4-8H2,1-3H3,(H,12,13,14)
InChIKeyBNWDOMGCDNIIHA-UHFFFAOYSA-N
XLogP3.61
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methylsulfanylethyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 65274566
N-(5-chloropentyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 107320621
3-propan-2-yl-N-propyl-1,2,4-thiadiazol-5-amine
CID 65269095
N-(5-chloro-4-methylpentyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 106154768
N-(3-phenoxypropyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 65276914
N'-methyl-N'-phenyl-N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine
CID 65270963
N-[3-(4-methylpiperidin-1-yl)propyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 133358721
6-methyl-N-(4-methylsulfanylbutyl)-2-propan-2-ylpyrimidin-4-amine
CID 115637362
N-propan-2-yl-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propanamide
CID 113247405
4,5-dimethyl-N-(4-methylsulfanylbutyl)-1,3-thiazol-2-amine
CID 115691855
N-(3-phenylbutyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 65274259
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-methylsulfanylpentyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(5-methylsulfanylpentyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine (CID 104925633) is N-(5-methylsulfanylpentyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(5-methylsulfanylpentyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(5-methylsulfanylpentyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine is CSCCCCCNc1nc(C(C)C)ns1.
What is the InChIKey of N-(5-methylsulfanylpentyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
The InChIKey is BNWDOMGCDNIIHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3S2/c1-9(2)10-13-11(16-14-10)12-7-5-4-6-8-15-3/h9H,4-8H2,1-3H3,(H,12,13,14).
What are the key properties of N-(5-methylsulfanylpentyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
N-(5-methylsulfanylpentyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine has a molecular weight of 259.44 g/mol, XLogP of 3.61, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methylsulfanylpentyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 104925633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).