N-[(4-tert-butylthiadiazol-5-yl)methyl]-2,2-difluoroethanamine

C9H15F2N3S — CID 115407129

IUPACN-[(4-tert-butylthiadiazol-5-yl)methyl]-2,2-difluoroethanamine
SMILESCC(C)(C)c1nnsc1CNCC(F)F
InChIInChI=1S/C9H15F2N3S/c1-9(2,3)8-6(15-14-13-8)4-12-5-7(10)11/h7,12H,4-5H2,1-3H3
InChIKeyPLZVTUXMPNHLDV-UHFFFAOYSA-N
MW235.30 g/mol
LogP2.19
Rot. Bonds4

About N-[(4-tert-butylthiadiazol-5-yl)methyl]-2,2-difluoroethanamine

N-[(4-tert-butylthiadiazol-5-yl)methyl]-2,2-difluoroethanamine (PubChem CID 115407129) has the molecular formula C9H15F2N3S and a molecular weight of 235.30 g/mol. Its IUPAC name is N-[(4-tert-butylthiadiazol-5-yl)methyl]-2,2-difluoroethanamine.

Molecular Properties

Compound NameN-[(4-tert-butylthiadiazol-5-yl)methyl]-2,2-difluoroethanamine
PubChem CID115407129
Molecular FormulaC9H15F2N3S
Molecular Weight235.30 g/mol
Exact Mass235.10
IUPAC NameN-[(4-tert-butylthiadiazol-5-yl)methyl]-2,2-difluoroethanamine
SMILESCC(C)(C)c1nnsc1CNCC(F)F
InChIInChI=1S/C9H15F2N3S/c1-9(2,3)8-6(15-14-13-8)4-12-5-7(10)11/h7,12H,4-5H2,1-3H3
InChIKeyPLZVTUXMPNHLDV-UHFFFAOYSA-N
XLogP2.19
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butylthiadiazol-5-yl)methyl]-2,2-difluoroethanamine?
The IUPAC name of N-[(4-tert-butylthiadiazol-5-yl)methyl]-2,2-difluoroethanamine (CID 115407129) is N-[(4-tert-butylthiadiazol-5-yl)methyl]-2,2-difluoroethanamine.
What is the SMILES notation for N-[(4-tert-butylthiadiazol-5-yl)methyl]-2,2-difluoroethanamine?
The canonical SMILES for N-[(4-tert-butylthiadiazol-5-yl)methyl]-2,2-difluoroethanamine is CC(C)(C)c1nnsc1CNCC(F)F.
What is the InChIKey of N-[(4-tert-butylthiadiazol-5-yl)methyl]-2,2-difluoroethanamine?
The InChIKey is PLZVTUXMPNHLDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2N3S/c1-9(2,3)8-6(15-14-13-8)4-12-5-7(10)11/h7,12H,4-5H2,1-3H3.
What are the key properties of N-[(4-tert-butylthiadiazol-5-yl)methyl]-2,2-difluoroethanamine?
N-[(4-tert-butylthiadiazol-5-yl)methyl]-2,2-difluoroethanamine has a molecular weight of 235.30 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butylthiadiazol-5-yl)methyl]-2,2-difluoroethanamine is sourced from PubChem (CID 115407129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).