N-[(4-tert-butylthiadiazol-5-yl)-(3,4-dihydro-2H-pyran-5-yl)methyl]ethanamine

C14H23N3OS — CID 105179246

IUPACN-[(4-tert-butylthiadiazol-5-yl)-(3,4-dihydro-2H-pyran-5-yl)methyl]ethanamine
SMILESCCNC(C1=COCCC1)c1snnc1C(C)(C)C
InChIInChI=1S/C14H23N3OS/c1-5-15-11(10-7-6-8-18-9-10)12-13(14(2,3)4)16-17-19-12/h9,11,15H,5-8H2,1-4H3
InChIKeyLFIVTQFDISMAJI-UHFFFAOYSA-N
MW281.43 g/mol
LogP3.18
Rot. Bonds4

About N-[(4-tert-butylthiadiazol-5-yl)-(3,4-dihydro-2H-pyran-5-yl)methyl]ethanamine

N-[(4-tert-butylthiadiazol-5-yl)-(3,4-dihydro-2H-pyran-5-yl)methyl]ethanamine (PubChem CID 105179246) has the molecular formula C14H23N3OS and a molecular weight of 281.43 g/mol. Its IUPAC name is N-[(4-tert-butylthiadiazol-5-yl)-(3,4-dihydro-2H-pyran-5-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-tert-butylthiadiazol-5-yl)-(3,4-dihydro-2H-pyran-5-yl)methyl]ethanamine
PubChem CID105179246
Molecular FormulaC14H23N3OS
Molecular Weight281.43 g/mol
Exact Mass281.16
IUPAC NameN-[(4-tert-butylthiadiazol-5-yl)-(3,4-dihydro-2H-pyran-5-yl)methyl]ethanamine
SMILESCCNC(C1=COCCC1)c1snnc1C(C)(C)C
InChIInChI=1S/C14H23N3OS/c1-5-15-11(10-7-6-8-18-9-10)12-13(14(2,3)4)16-17-19-12/h9,11,15H,5-8H2,1-4H3
InChIKeyLFIVTQFDISMAJI-UHFFFAOYSA-N
XLogP3.18
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.43
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-tert-butylthiadiazol-5-yl)-(3,5-dimethylphenyl)methyl]ethanamine
CID 105096903
N-[(4-tert-butylthiadiazol-5-yl)-(3,5-difluorophenyl)methyl]ethanamine
CID 105142006
N-[(4-tert-butylthiadiazol-5-yl)-(2-ethylpyrazol-3-yl)methyl]ethanamine
CID 105148326
N-[3,4-dihydro-2H-pyran-5-yl-[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 105033009
N-[(4-tert-butylthiadiazol-5-yl)-pyrazin-2-ylmethyl]ethanamine
CID 105149972
N-[3,4-dihydro-2H-pyran-5-yl-(2-methylphenyl)methyl]ethanamine
CID 113370529
N-[(2,5-dichlorothiophen-3-yl)-(3,4-dihydro-2H-pyran-5-yl)methyl]ethanamine
CID 107968989
N-[(4-tert-butylthiadiazol-5-yl)-(4-fluoro-2-methylphenyl)methyl]ethanamine
CID 105142749
1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-2-methyl-2-methylsulfonylpropan-1-amine
CID 105033154
N-[3,4-dihydro-2H-pyran-5-yl-(3-ethyl-2-pyridinyl)methyl]ethanamine
CID 113370645
N-[3,4-dihydro-2H-pyran-5-yl-(3-ethyl-4-pyridinyl)methyl]ethanamine
CID 113370642
N-[(4-tert-butylthiadiazol-5-yl)-(3-fluoro-4-methylphenyl)methyl]ethanamine
CID 107130488

Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butylthiadiazol-5-yl)-(3,4-dihydro-2H-pyran-5-yl)methyl]ethanamine?
The IUPAC name of N-[(4-tert-butylthiadiazol-5-yl)-(3,4-dihydro-2H-pyran-5-yl)methyl]ethanamine (CID 105179246) is N-[(4-tert-butylthiadiazol-5-yl)-(3,4-dihydro-2H-pyran-5-yl)methyl]ethanamine.
What is the SMILES notation for N-[(4-tert-butylthiadiazol-5-yl)-(3,4-dihydro-2H-pyran-5-yl)methyl]ethanamine?
The canonical SMILES for N-[(4-tert-butylthiadiazol-5-yl)-(3,4-dihydro-2H-pyran-5-yl)methyl]ethanamine is CCNC(C1=COCCC1)c1snnc1C(C)(C)C.
What is the InChIKey of N-[(4-tert-butylthiadiazol-5-yl)-(3,4-dihydro-2H-pyran-5-yl)methyl]ethanamine?
The InChIKey is LFIVTQFDISMAJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OS/c1-5-15-11(10-7-6-8-18-9-10)12-13(14(2,3)4)16-17-19-12/h9,11,15H,5-8H2,1-4H3.
What are the key properties of N-[(4-tert-butylthiadiazol-5-yl)-(3,4-dihydro-2H-pyran-5-yl)methyl]ethanamine?
N-[(4-tert-butylthiadiazol-5-yl)-(3,4-dihydro-2H-pyran-5-yl)methyl]ethanamine has a molecular weight of 281.43 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butylthiadiazol-5-yl)-(3,4-dihydro-2H-pyran-5-yl)methyl]ethanamine is sourced from PubChem (CID 105179246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).