N-(2-methylpropyl)-3-(propylsulfanylmethyl)-1,2,4-thiadiazol-5-amine

C10H19N3S2 — CID 65267700

IUPACN-(2-methylpropyl)-3-(propylsulfanylmethyl)-1,2,4-thiadiazol-5-amine
SMILESCCCSCc1nsc(NCC(C)C)n1
InChIInChI=1S/C10H19N3S2/c1-4-5-14-7-9-12-10(15-13-9)11-6-8(2)3/h8H,4-7H2,1-3H3,(H,11,12,13)
InChIKeyNPFIMOGOIVABNG-UHFFFAOYSA-N
MW245.42 g/mol
LogP3.25
Rot. Bonds7

About N-(2-methylpropyl)-3-(propylsulfanylmethyl)-1,2,4-thiadiazol-5-amine

N-(2-methylpropyl)-3-(propylsulfanylmethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 65267700) has the molecular formula C10H19N3S2 and a molecular weight of 245.42 g/mol. Its IUPAC name is N-(2-methylpropyl)-3-(propylsulfanylmethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(2-methylpropyl)-3-(propylsulfanylmethyl)-1,2,4-thiadiazol-5-amine
PubChem CID65267700
Molecular FormulaC10H19N3S2
Molecular Weight245.42 g/mol
Exact Mass245.10
IUPAC NameN-(2-methylpropyl)-3-(propylsulfanylmethyl)-1,2,4-thiadiazol-5-amine
SMILESCCCSCc1nsc(NCC(C)C)n1
InChIInChI=1S/C10H19N3S2/c1-4-5-14-7-9-12-10(15-13-9)11-6-8(2)3/h8H,4-7H2,1-3H3,(H,11,12,13)
InChIKeyNPFIMOGOIVABNG-UHFFFAOYSA-N
XLogP3.25
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.42
LogP ≤ 53.25
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

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CID 106430765
CID 106430765
CID 107304966
CID 107304966
CID 107304967
CID 107304967
CID 107305133
CID 107305133
CID 107305144
CID 107305144
CID 107305148
CID 107305148
CID 107305160
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CID 107305167

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-3-(propylsulfanylmethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(2-methylpropyl)-3-(propylsulfanylmethyl)-1,2,4-thiadiazol-5-amine (CID 65267700) is N-(2-methylpropyl)-3-(propylsulfanylmethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(2-methylpropyl)-3-(propylsulfanylmethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(2-methylpropyl)-3-(propylsulfanylmethyl)-1,2,4-thiadiazol-5-amine is CCCSCc1nsc(NCC(C)C)n1.
What is the InChIKey of N-(2-methylpropyl)-3-(propylsulfanylmethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is NPFIMOGOIVABNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3S2/c1-4-5-14-7-9-12-10(15-13-9)11-6-8(2)3/h8H,4-7H2,1-3H3,(H,11,12,13).
What are the key properties of N-(2-methylpropyl)-3-(propylsulfanylmethyl)-1,2,4-thiadiazol-5-amine?
N-(2-methylpropyl)-3-(propylsulfanylmethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 245.42 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-3-(propylsulfanylmethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65267700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).