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

C10H19N3OS — CID 65268388

IUPACN-tert-butyl-3-(3-methoxypropyl)-1,2,4-thiadiazol-5-amine
SMILESCOCCCc1nsc(NC(C)(C)C)n1
InChIInChI=1S/C10H19N3OS/c1-10(2,3)12-9-11-8(13-15-9)6-5-7-14-4/h5-7H2,1-4H3,(H,11,12,13)
InChIKeyVGIWTSRDUCVHGR-UHFFFAOYSA-N
MW229.35 g/mol
LogP2.33
Rot. Bonds5

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

N-tert-butyl-3-(3-methoxypropyl)-1,2,4-thiadiazol-5-amine (PubChem CID 65268388) has the molecular formula C10H19N3OS and a molecular weight of 229.35 g/mol. Its IUPAC name is N-tert-butyl-3-(3-methoxypropyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-tert-butyl-3-(3-methoxypropyl)-1,2,4-thiadiazol-5-amine
PubChem CID65268388
Molecular FormulaC10H19N3OS
Molecular Weight229.35 g/mol
Exact Mass229.12
IUPAC NameN-tert-butyl-3-(3-methoxypropyl)-1,2,4-thiadiazol-5-amine
SMILESCOCCCc1nsc(NC(C)(C)C)n1
InChIInChI=1S/C10H19N3OS/c1-10(2,3)12-9-11-8(13-15-9)6-5-7-14-4/h5-7H2,1-4H3,(H,11,12,13)
InChIKeyVGIWTSRDUCVHGR-UHFFFAOYSA-N
XLogP2.33
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.35
LogP ≤ 52.33
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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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-(3-methoxypropyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-tert-butyl-3-(3-methoxypropyl)-1,2,4-thiadiazol-5-amine (CID 65268388) is N-tert-butyl-3-(3-methoxypropyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-tert-butyl-3-(3-methoxypropyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-tert-butyl-3-(3-methoxypropyl)-1,2,4-thiadiazol-5-amine is COCCCc1nsc(NC(C)(C)C)n1.
What is the InChIKey of N-tert-butyl-3-(3-methoxypropyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is VGIWTSRDUCVHGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3OS/c1-10(2,3)12-9-11-8(13-15-9)6-5-7-14-4/h5-7H2,1-4H3,(H,11,12,13).
What are the key properties of N-tert-butyl-3-(3-methoxypropyl)-1,2,4-thiadiazol-5-amine?
N-tert-butyl-3-(3-methoxypropyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 229.35 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-(3-methoxypropyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65268388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).