1-(4-tert-butylthiadiazol-5-yl)-4-methoxy-N,4-dimethylpentan-1-amine

C14H27N3OS — CID 103031595

IUPAC1-(4-tert-butylthiadiazol-5-yl)-4-methoxy-N,4-dimethylpentan-1-amine
SMILESCNC(CCC(C)(C)OC)c1snnc1C(C)(C)C
InChIInChI=1S/C14H27N3OS/c1-13(2,3)12-11(19-17-16-12)10(15-6)8-9-14(4,5)18-7/h10,15H,8-9H2,1-7H3
InChIKeyDBQKYRKMGPWCDZ-UHFFFAOYSA-N
MW285.46 g/mol
LogP3.30
Rot. Bonds6

About 1-(4-tert-butylthiadiazol-5-yl)-4-methoxy-N,4-dimethylpentan-1-amine

1-(4-tert-butylthiadiazol-5-yl)-4-methoxy-N,4-dimethylpentan-1-amine (PubChem CID 103031595) has the molecular formula C14H27N3OS and a molecular weight of 285.46 g/mol. Its IUPAC name is 1-(4-tert-butylthiadiazol-5-yl)-4-methoxy-N,4-dimethylpentan-1-amine.

Molecular Properties

Compound Name1-(4-tert-butylthiadiazol-5-yl)-4-methoxy-N,4-dimethylpentan-1-amine
PubChem CID103031595
Molecular FormulaC14H27N3OS
Molecular Weight285.46 g/mol
Exact Mass285.19
IUPAC Name1-(4-tert-butylthiadiazol-5-yl)-4-methoxy-N,4-dimethylpentan-1-amine
SMILESCNC(CCC(C)(C)OC)c1snnc1C(C)(C)C
InChIInChI=1S/C14H27N3OS/c1-13(2,3)12-11(19-17-16-12)10(15-6)8-9-14(4,5)18-7/h10,15H,8-9H2,1-7H3
InChIKeyDBQKYRKMGPWCDZ-UHFFFAOYSA-N
XLogP3.30
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.46
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(4-tert-butylthiadiazol-5-yl)-4-methoxy-N,4-dimethylpentan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylthiadiazol-5-yl)-4-methoxy-N,4-dimethylpentan-1-amine?
The IUPAC name of 1-(4-tert-butylthiadiazol-5-yl)-4-methoxy-N,4-dimethylpentan-1-amine (CID 103031595) is 1-(4-tert-butylthiadiazol-5-yl)-4-methoxy-N,4-dimethylpentan-1-amine.
What is the SMILES notation for 1-(4-tert-butylthiadiazol-5-yl)-4-methoxy-N,4-dimethylpentan-1-amine?
The canonical SMILES for 1-(4-tert-butylthiadiazol-5-yl)-4-methoxy-N,4-dimethylpentan-1-amine is CNC(CCC(C)(C)OC)c1snnc1C(C)(C)C.
What is the InChIKey of 1-(4-tert-butylthiadiazol-5-yl)-4-methoxy-N,4-dimethylpentan-1-amine?
The InChIKey is DBQKYRKMGPWCDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3OS/c1-13(2,3)12-11(19-17-16-12)10(15-6)8-9-14(4,5)18-7/h10,15H,8-9H2,1-7H3.
What are the key properties of 1-(4-tert-butylthiadiazol-5-yl)-4-methoxy-N,4-dimethylpentan-1-amine?
1-(4-tert-butylthiadiazol-5-yl)-4-methoxy-N,4-dimethylpentan-1-amine has a molecular weight of 285.46 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylthiadiazol-5-yl)-4-methoxy-N,4-dimethylpentan-1-amine is sourced from PubChem (CID 103031595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).