5-tert-butyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1,3,4-thiadiazol-2-amine

C11H17N5S — CID 154771700

IUPAC5-tert-butyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1,3,4-thiadiazol-2-amine
SMILESCc1cnc(CNc2nnc(C(C)(C)C)s2)[nH]1
InChIInChI=1S/C11H17N5S/c1-7-5-12-8(14-7)6-13-10-16-15-9(17-10)11(2,3)4/h5H,6H2,1-4H3,(H,12,14)(H,13,16)
InChIKeyDHRGFDRZDOLWAY-UHFFFAOYSA-N
MW251.36 g/mol
LogP2.48
Rot. Bonds3

About 5-tert-butyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1,3,4-thiadiazol-2-amine

5-tert-butyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1,3,4-thiadiazol-2-amine (PubChem CID 154771700) has the molecular formula C11H17N5S and a molecular weight of 251.36 g/mol. Its IUPAC name is 5-tert-butyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-tert-butyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1,3,4-thiadiazol-2-amine
PubChem CID154771700
Molecular FormulaC11H17N5S
Molecular Weight251.36 g/mol
Exact Mass251.12
IUPAC Name5-tert-butyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1,3,4-thiadiazol-2-amine
SMILESCc1cnc(CNc2nnc(C(C)(C)C)s2)[nH]1
InChIInChI=1S/C11H17N5S/c1-7-5-12-8(14-7)6-13-10-16-15-9(17-10)11(2,3)4/h5H,6H2,1-4H3,(H,12,14)(H,13,16)
InChIKeyDHRGFDRZDOLWAY-UHFFFAOYSA-N
XLogP2.48
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.36
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-tert-butyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1,3,4-thiadiazol-2-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 5-tert-butyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-tert-butyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1,3,4-thiadiazol-2-amine (CID 154771700) is 5-tert-butyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-tert-butyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-tert-butyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1,3,4-thiadiazol-2-amine is Cc1cnc(CNc2nnc(C(C)(C)C)s2)[nH]1.
What is the InChIKey of 5-tert-butyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is DHRGFDRZDOLWAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5S/c1-7-5-12-8(14-7)6-13-10-16-15-9(17-10)11(2,3)4/h5H,6H2,1-4H3,(H,12,14)(H,13,16).
What are the key properties of 5-tert-butyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1,3,4-thiadiazol-2-amine?
5-tert-butyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 251.36 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 154771700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).