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

C9H17N3S2 — CID 65268414

IUPACN-propyl-3-(propylsulfanylmethyl)-1,2,4-thiadiazol-5-amine
SMILESCCCNc1nc(CSCCC)ns1
InChIInChI=1S/C9H17N3S2/c1-3-5-10-9-11-8(12-14-9)7-13-6-4-2/h3-7H2,1-2H3,(H,10,11,12)
InChIKeyMOZOQWZNOWUMBW-UHFFFAOYSA-N
MW231.39 g/mol
LogP3.00
Rot. Bonds7

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

N-propyl-3-(propylsulfanylmethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 65268414) has the molecular formula C9H17N3S2 and a molecular weight of 231.39 g/mol. Its IUPAC name is N-propyl-3-(propylsulfanylmethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-propyl-3-(propylsulfanylmethyl)-1,2,4-thiadiazol-5-amine
PubChem CID65268414
Molecular FormulaC9H17N3S2
Molecular Weight231.39 g/mol
Exact Mass231.09
IUPAC NameN-propyl-3-(propylsulfanylmethyl)-1,2,4-thiadiazol-5-amine
SMILESCCCNc1nc(CSCCC)ns1
InChIInChI=1S/C9H17N3S2/c1-3-5-10-9-11-8(12-14-9)7-13-6-4-2/h3-7H2,1-2H3,(H,10,11,12)
InChIKeyMOZOQWZNOWUMBW-UHFFFAOYSA-N
XLogP3.00
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.39
LogP ≤ 53.00
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-methoxyethyl)-3-(propylsulfanylmethyl)-1,2,4-thiadiazol-5-amine
CID 65267475
N-methyl-3-(propylsulfanylmethyl)-1,2,4-thiadiazol-5-amine
CID 65268568
3-(phenylsulfanylmethyl)-N-propyl-1,2,4-thiadiazol-5-amine
CID 65268704
3-(ethylsulfanylmethyl)-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine
CID 65267890
3-[(dimethylamino)methyl]-N-propyl-1,2,4-thiadiazol-5-amine
CID 79084999
N-propyl-3-(pyridin-4-ylmethyl)-1,2,4-thiadiazol-5-amine
CID 65268531
3-(oxolan-2-ylmethyl)-N-propyl-1,2,4-thiadiazol-5-amine
CID 65268927
3-ethyl-N-(2-fluoroethyl)-1,2,4-thiadiazol-5-amine
CID 130478087
N-propyl-5-(propylsulfanylmethyl)-1,3-thiazol-2-amine
CID 79774133
3-propan-2-yl-N-propyl-1,2,4-thiadiazol-5-amine
CID 65269095
N'-(3-ethyl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine
CID 65272512
N-propyl-3-pyridin-4-yl-1,2,4-thiadiazol-5-amine
CID 65268415

Frequently Asked Questions

What is the IUPAC name of N-propyl-3-(propylsulfanylmethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-propyl-3-(propylsulfanylmethyl)-1,2,4-thiadiazol-5-amine (CID 65268414) is N-propyl-3-(propylsulfanylmethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-propyl-3-(propylsulfanylmethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-propyl-3-(propylsulfanylmethyl)-1,2,4-thiadiazol-5-amine is CCCNc1nc(CSCCC)ns1.
What is the InChIKey of N-propyl-3-(propylsulfanylmethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is MOZOQWZNOWUMBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3S2/c1-3-5-10-9-11-8(12-14-9)7-13-6-4-2/h3-7H2,1-2H3,(H,10,11,12).
What are the key properties of N-propyl-3-(propylsulfanylmethyl)-1,2,4-thiadiazol-5-amine?
N-propyl-3-(propylsulfanylmethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 231.39 g/mol, XLogP of 3.00, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-3-(propylsulfanylmethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65268414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).