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

C9H17N3OS — CID 65267591

IUPAC3-tert-butyl-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine
SMILESCOCCNc1nc(C(C)(C)C)ns1
InChIInChI=1S/C9H17N3OS/c1-9(2,3)7-11-8(14-12-7)10-5-6-13-4/h5-6H2,1-4H3,(H,10,11,12)
InChIKeyCDVZBTUYEYSEOG-UHFFFAOYSA-N
MW215.32 g/mol
LogP1.89
Rot. Bonds4

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

3-tert-butyl-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 65267591) has the molecular formula C9H17N3OS and a molecular weight of 215.32 g/mol. Its IUPAC name is 3-tert-butyl-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-tert-butyl-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine
PubChem CID65267591
Molecular FormulaC9H17N3OS
Molecular Weight215.32 g/mol
Exact Mass215.11
IUPAC Name3-tert-butyl-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine
SMILESCOCCNc1nc(C(C)(C)C)ns1
InChIInChI=1S/C9H17N3OS/c1-9(2,3)7-11-8(14-12-7)10-5-6-13-4/h5-6H2,1-4H3,(H,10,11,12)
InChIKeyCDVZBTUYEYSEOG-UHFFFAOYSA-N
XLogP1.89
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 51.89
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-(cyclopropylmethoxy)propyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 72112104
3-methyl-N-(4-morpholin-4-ylbutyl)-1,2,4-thiadiazol-5-amine
CID 132380131
N-(2-methoxyethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304642
N-(2-methoxyethyl)-3-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine
CID 65268347
3-tert-butyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine
CID 65273980
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
3-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine
CID 65274038
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-ethyl-1,2,4-thiadiazol-5-amine
CID 103081617
N-(2-methylpropyl)-3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine
CID 103151222

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-tert-butyl-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine (CID 65267591) is 3-tert-butyl-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-tert-butyl-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-tert-butyl-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine is COCCNc1nc(C(C)(C)C)ns1.
What is the InChIKey of 3-tert-butyl-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is CDVZBTUYEYSEOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3OS/c1-9(2,3)7-11-8(14-12-7)10-5-6-13-4/h5-6H2,1-4H3,(H,10,11,12).
What are the key properties of 3-tert-butyl-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine?
3-tert-butyl-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 215.32 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65267591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).