3-tert-butyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]-1,2,4-thiadiazol-5-amine

C15H22N4OS — CID 65276825

IUPAC3-tert-butyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]-1,2,4-thiadiazol-5-amine
SMILESCC(C)Oc1ncccc1CNc1nc(C(C)(C)C)ns1
InChIInChI=1S/C15H22N4OS/c1-10(2)20-12-11(7-6-8-16-12)9-17-14-18-13(19-21-14)15(3,4)5/h6-8,10H,9H2,1-5H3,(H,17,18,19)
InChIKeyBPXMIOCEJIMGCM-UHFFFAOYSA-N
MW306.44 g/mol
LogP3.63
Rot. Bonds5

About 3-tert-butyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]-1,2,4-thiadiazol-5-amine

3-tert-butyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]-1,2,4-thiadiazol-5-amine (PubChem CID 65276825) has the molecular formula C15H22N4OS and a molecular weight of 306.44 g/mol. Its IUPAC name is 3-tert-butyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-tert-butyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]-1,2,4-thiadiazol-5-amine
PubChem CID65276825
Molecular FormulaC15H22N4OS
Molecular Weight306.44 g/mol
Exact Mass306.15
IUPAC Name3-tert-butyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]-1,2,4-thiadiazol-5-amine
SMILESCC(C)Oc1ncccc1CNc1nc(C(C)(C)C)ns1
InChIInChI=1S/C15H22N4OS/c1-10(2)20-12-11(7-6-8-16-12)9-17-14-18-13(19-21-14)15(3,4)5/h6-8,10H,9H2,1-5H3,(H,17,18,19)
InChIKeyBPXMIOCEJIMGCM-UHFFFAOYSA-N
XLogP3.63
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.44
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-tert-butyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]-1,2,4-thiadiazol-5-amine with MolForge

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

Launch Full Analysis

Related Compounds

4,5-dimethyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]-1,3-thiazol-2-amine
CID 65169702
3-tert-butyl-N-(pyridin-2-ylmethyl)-1,2,4-thiadiazol-5-amine
CID 65271142
3-tert-butyl-N-[(2-fluorophenyl)methyl]-1,2,4-thiadiazol-5-amine
CID 65270918
5-methyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrimidin-2-amine
CID 63208632
3-methoxy-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]butan-2-amine
CID 115709816
4-methoxy-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrimidin-2-amine
CID 115586120
N-[(2-propan-2-yloxy-3-pyridinyl)methyl]ethanamine
CID 61373670
3-tert-butyl-N-[[2-(methylsulfonylmethyl)phenyl]methyl]-1,2,4-thiadiazol-5-amine
CID 133494195
N-[(2-propan-2-yloxy-3-pyridinyl)methyl]propan-1-amine
CID 61373669
3-tert-butyl-N-[(3-methyl-4-pyridinyl)methyl]-1,2,4-thiadiazol-5-amine
CID 114700767
N-[(2-propan-2-yloxy-3-pyridinyl)methyl]prop-2-yn-1-amine
CID 62142011
N-[(2-propan-2-yloxy-3-pyridinyl)methyl]cyclopropanamine
CID 62290526

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-tert-butyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]-1,2,4-thiadiazol-5-amine (CID 65276825) is 3-tert-butyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-tert-butyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-tert-butyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]-1,2,4-thiadiazol-5-amine is CC(C)Oc1ncccc1CNc1nc(C(C)(C)C)ns1.
What is the InChIKey of 3-tert-butyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is BPXMIOCEJIMGCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4OS/c1-10(2)20-12-11(7-6-8-16-12)9-17-14-18-13(19-21-14)15(3,4)5/h6-8,10H,9H2,1-5H3,(H,17,18,19).
What are the key properties of 3-tert-butyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]-1,2,4-thiadiazol-5-amine?
3-tert-butyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 306.44 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65276825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).