N-[(4-ethylthiadiazol-5-yl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine

C14H20N4S — CID 105164387

IUPACN-[(4-ethylthiadiazol-5-yl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine
SMILESCCCNC(c1cnccc1C)c1snnc1CC
InChIInChI=1S/C14H20N4S/c1-4-7-16-13(11-9-15-8-6-10(11)3)14-12(5-2)17-18-19-14/h6,8-9,13,16H,4-5,7H2,1-3H3
InChIKeyPCNHCTZOBNSEAF-UHFFFAOYSA-N
MW276.41 g/mol
LogP2.89
Rot. Bonds6

About N-[(4-ethylthiadiazol-5-yl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine

N-[(4-ethylthiadiazol-5-yl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine (PubChem CID 105164387) has the molecular formula C14H20N4S and a molecular weight of 276.41 g/mol. Its IUPAC name is N-[(4-ethylthiadiazol-5-yl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-ethylthiadiazol-5-yl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine
PubChem CID105164387
Molecular FormulaC14H20N4S
Molecular Weight276.41 g/mol
Exact Mass276.14
IUPAC NameN-[(4-ethylthiadiazol-5-yl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine
SMILESCCCNC(c1cnccc1C)c1snnc1CC
InChIInChI=1S/C14H20N4S/c1-4-7-16-13(11-9-15-8-6-10(11)3)14-12(5-2)17-18-19-14/h6,8-9,13,16H,4-5,7H2,1-3H3
InChIKeyPCNHCTZOBNSEAF-UHFFFAOYSA-N
XLogP2.89
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-ethylthiadiazol-5-yl)-(2-methylphenyl)methyl]propan-1-amine
CID 105094965
N-[(2-ethoxyphenyl)-(4-ethylthiadiazol-5-yl)methyl]propan-1-amine
CID 105145067
N-[(4-ethylthiadiazol-5-yl)-(4-methylphenyl)methyl]propan-1-amine
CID 105092612
N-[(4-methyl-3-pyridinyl)-pyridin-4-ylmethyl]propan-1-amine
CID 66271195
3-[(4-methyl-3-pyridinyl)-(propylamino)methyl]pyridin-4-amine
CID 114878589
N-[isoquinolin-8-yl-(4-methylthiadiazol-5-yl)methyl]propan-1-amine
CID 103137746
N-[(3,5-dimethylphenyl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine
CID 114878570
[(4-ethylthiadiazol-5-yl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine
CID 102710567
N-[(3-methylfuran-2-yl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine
CID 104806165
N-[(2,6-difluoro-3-methylphenyl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine
CID 114878610
N-[(4-methyl-3-pyridinyl)-(2-methylpyrimidin-4-yl)methyl]propan-1-amine
CID 115531140
N-[(5-bromothiophen-3-yl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine
CID 105164352

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylthiadiazol-5-yl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine?
The IUPAC name of N-[(4-ethylthiadiazol-5-yl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine (CID 105164387) is N-[(4-ethylthiadiazol-5-yl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(4-ethylthiadiazol-5-yl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine?
The canonical SMILES for N-[(4-ethylthiadiazol-5-yl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine is CCCNC(c1cnccc1C)c1snnc1CC.
What is the InChIKey of N-[(4-ethylthiadiazol-5-yl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine?
The InChIKey is PCNHCTZOBNSEAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4S/c1-4-7-16-13(11-9-15-8-6-10(11)3)14-12(5-2)17-18-19-14/h6,8-9,13,16H,4-5,7H2,1-3H3.
What are the key properties of N-[(4-ethylthiadiazol-5-yl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine?
N-[(4-ethylthiadiazol-5-yl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine has a molecular weight of 276.41 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylthiadiazol-5-yl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine is sourced from PubChem (CID 105164387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).