N-(2-methoxyethyl)-3-(3-methylbutyl)-1,2,4-thiadiazol-5-amine

C10H19N3OS — CID 65267477

IUPACN-(2-methoxyethyl)-3-(3-methylbutyl)-1,2,4-thiadiazol-5-amine
SMILESCOCCNc1nc(CCC(C)C)ns1
InChIInChI=1S/C10H19N3OS/c1-8(2)4-5-9-12-10(15-13-9)11-6-7-14-3/h8H,4-7H2,1-3H3,(H,11,12,13)
InChIKeyODIKMRYPMJQGSD-UHFFFAOYSA-N
MW229.35 g/mol
LogP2.18
Rot. Bonds7

About N-(2-methoxyethyl)-3-(3-methylbutyl)-1,2,4-thiadiazol-5-amine

N-(2-methoxyethyl)-3-(3-methylbutyl)-1,2,4-thiadiazol-5-amine (PubChem CID 65267477) has the molecular formula C10H19N3OS and a molecular weight of 229.35 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-(3-methylbutyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-(3-methylbutyl)-1,2,4-thiadiazol-5-amine
PubChem CID65267477
Molecular FormulaC10H19N3OS
Molecular Weight229.35 g/mol
Exact Mass229.12
IUPAC NameN-(2-methoxyethyl)-3-(3-methylbutyl)-1,2,4-thiadiazol-5-amine
SMILESCOCCNc1nc(CCC(C)C)ns1
InChIInChI=1S/C10H19N3OS/c1-8(2)4-5-9-12-10(15-13-9)11-6-7-14-3/h8H,4-7H2,1-3H3,(H,11,12,13)
InChIKeyODIKMRYPMJQGSD-UHFFFAOYSA-N
XLogP2.18
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.35
LogP ≤ 52.18
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-(3-cyclopropyl-3-methoxybutan-2-yl)-3-methyl-1,2,4-thiadiazol-5-amine
CID 122152969
3-propan-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine
CID 65273982
3-propyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine
CID 65274037
N-(2-methoxyethyl)-3-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine
CID 79964782
N-[2-(2,2-difluoroethoxy)ethyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 103081427
N-[2-(2,2-difluoroethoxy)ethyl]-3-propyl-1,2,4-thiadiazol-5-amine
CID 105912909
3-(3,3-difluorocyclopentyl)-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine
CID 114216749
3-methyl-N-(4-methylpentyl)-1,2,4-thiadiazol-5-amine
CID 65267453
3-butan-2-yl-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine
CID 65267473
3-(1-ethoxyethyl)-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine
CID 65267528
N-(2-methoxyethyl)-3-(3-methylcyclohexyl)-1,2,4-thiadiazol-5-amine
CID 65267535
3-ethyl-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine
CID 65267586

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-(3-methylbutyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(2-methoxyethyl)-3-(3-methylbutyl)-1,2,4-thiadiazol-5-amine (CID 65267477) is N-(2-methoxyethyl)-3-(3-methylbutyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(2-methoxyethyl)-3-(3-methylbutyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(2-methoxyethyl)-3-(3-methylbutyl)-1,2,4-thiadiazol-5-amine is COCCNc1nc(CCC(C)C)ns1.
What is the InChIKey of N-(2-methoxyethyl)-3-(3-methylbutyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is ODIKMRYPMJQGSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3OS/c1-8(2)4-5-9-12-10(15-13-9)11-6-7-14-3/h8H,4-7H2,1-3H3,(H,11,12,13).
What are the key properties of N-(2-methoxyethyl)-3-(3-methylbutyl)-1,2,4-thiadiazol-5-amine?
N-(2-methoxyethyl)-3-(3-methylbutyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 229.35 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-(3-methylbutyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65267477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).