4-(2-methoxyethylsulfanylmethyl)-N-propylthiadiazol-5-amine

C9H17N3OS2 — CID 62187540

IUPAC4-(2-methoxyethylsulfanylmethyl)-N-propylthiadiazol-5-amine
SMILESCCCNc1snnc1CSCCOC
InChIInChI=1S/C9H17N3OS2/c1-3-4-10-9-8(11-12-15-9)7-14-6-5-13-2/h10H,3-7H2,1-2H3
InChIKeyNSSRXOYPELVMND-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.24
Rot. Bonds8

About 4-(2-methoxyethylsulfanylmethyl)-N-propylthiadiazol-5-amine

4-(2-methoxyethylsulfanylmethyl)-N-propylthiadiazol-5-amine (PubChem CID 62187540) has the molecular formula C9H17N3OS2 and a molecular weight of 247.39 g/mol. Its IUPAC name is 4-(2-methoxyethylsulfanylmethyl)-N-propylthiadiazol-5-amine.

Molecular Properties

Compound Name4-(2-methoxyethylsulfanylmethyl)-N-propylthiadiazol-5-amine
PubChem CID62187540
Molecular FormulaC9H17N3OS2
Molecular Weight247.39 g/mol
Exact Mass247.08
IUPAC Name4-(2-methoxyethylsulfanylmethyl)-N-propylthiadiazol-5-amine
SMILESCCCNc1snnc1CSCCOC
InChIInChI=1S/C9H17N3OS2/c1-3-4-10-9-8(11-12-15-9)7-14-6-5-13-2/h10H,3-7H2,1-2H3
InChIKeyNSSRXOYPELVMND-UHFFFAOYSA-N
XLogP2.24
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(cyclohexylsulfanylmethyl)-N-propylthiadiazol-5-amine
CID 55045090
4-(oxan-4-ylsulfanylmethyl)-N-propylthiadiazol-5-amine
CID 55140732
4-(2-methoxyethylsulfanylmethyl)-N-methylthiadiazol-5-amine
CID 62187538
N-ethyl-4-(2-methoxyethylsulfanylmethyl)thiadiazol-5-amine
CID 62187539
N-methyl-4-(propan-2-ylsulfanylmethyl)thiadiazol-5-amine
CID 62187559
N-ethyl-4-(propan-2-ylsulfanylmethyl)thiadiazol-5-amine
CID 62187560
4-(propan-2-ylsulfanylmethyl)-N-propylthiadiazol-5-amine
CID 62187732
4-(ethylsulfanylmethyl)-N-methylthiadiazol-5-amine
CID 62187844
4-(butylsulfanylmethyl)-N-methylthiadiazol-5-amine
CID 62187901
4-(butylsulfanylmethyl)-N-ethylthiadiazol-5-amine
CID 62187902
N-ethyl-4-(ethylsulfanylmethyl)thiadiazol-5-amine
CID 62188028
4-(ethylsulfanylmethyl)-N-propylthiadiazol-5-amine
CID 62188029

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethylsulfanylmethyl)-N-propylthiadiazol-5-amine?
The IUPAC name of 4-(2-methoxyethylsulfanylmethyl)-N-propylthiadiazol-5-amine (CID 62187540) is 4-(2-methoxyethylsulfanylmethyl)-N-propylthiadiazol-5-amine.
What is the SMILES notation for 4-(2-methoxyethylsulfanylmethyl)-N-propylthiadiazol-5-amine?
The canonical SMILES for 4-(2-methoxyethylsulfanylmethyl)-N-propylthiadiazol-5-amine is CCCNc1snnc1CSCCOC.
What is the InChIKey of 4-(2-methoxyethylsulfanylmethyl)-N-propylthiadiazol-5-amine?
The InChIKey is NSSRXOYPELVMND-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3OS2/c1-3-4-10-9-8(11-12-15-9)7-14-6-5-13-2/h10H,3-7H2,1-2H3.
What are the key properties of 4-(2-methoxyethylsulfanylmethyl)-N-propylthiadiazol-5-amine?
4-(2-methoxyethylsulfanylmethyl)-N-propylthiadiazol-5-amine has a molecular weight of 247.39 g/mol, XLogP of 2.24, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethylsulfanylmethyl)-N-propylthiadiazol-5-amine is sourced from PubChem (CID 62187540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).