N-[(5-methyl-3-pyridinyl)-(4-propan-2-ylthiadiazol-5-yl)methyl]propan-1-amine

C15H22N4S — CID 105173924

IUPACN-[(5-methyl-3-pyridinyl)-(4-propan-2-ylthiadiazol-5-yl)methyl]propan-1-amine
SMILESCCCNC(c1cncc(C)c1)c1snnc1C(C)C
InChIInChI=1S/C15H22N4S/c1-5-6-17-14(12-7-11(4)8-16-9-12)15-13(10(2)3)18-19-20-15/h7-10,14,17H,5-6H2,1-4H3
InChIKeyOKSOQSBRKZDIMF-UHFFFAOYSA-N
MW290.44 g/mol
LogP3.45
Rot. Bonds6

About N-[(5-methyl-3-pyridinyl)-(4-propan-2-ylthiadiazol-5-yl)methyl]propan-1-amine

N-[(5-methyl-3-pyridinyl)-(4-propan-2-ylthiadiazol-5-yl)methyl]propan-1-amine (PubChem CID 105173924) has the molecular formula C15H22N4S and a molecular weight of 290.44 g/mol. Its IUPAC name is N-[(5-methyl-3-pyridinyl)-(4-propan-2-ylthiadiazol-5-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(5-methyl-3-pyridinyl)-(4-propan-2-ylthiadiazol-5-yl)methyl]propan-1-amine
PubChem CID105173924
Molecular FormulaC15H22N4S
Molecular Weight290.44 g/mol
Exact Mass290.16
IUPAC NameN-[(5-methyl-3-pyridinyl)-(4-propan-2-ylthiadiazol-5-yl)methyl]propan-1-amine
SMILESCCCNC(c1cncc(C)c1)c1snnc1C(C)C
InChIInChI=1S/C15H22N4S/c1-5-6-17-14(12-7-11(4)8-16-9-12)15-13(10(2)3)18-19-20-15/h7-10,14,17H,5-6H2,1-4H3
InChIKeyOKSOQSBRKZDIMF-UHFFFAOYSA-N
XLogP3.45
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.44
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-methylphenyl)-(4-propan-2-ylthiadiazol-5-yl)methyl]propan-1-amine
CID 105090721
N-[(4-chlorophenyl)-(4-propan-2-ylthiadiazol-5-yl)methyl]propan-1-amine
CID 105076429
N-[(5-methyl-3-pyridinyl)-(3,4,5-trifluorophenyl)methyl]propan-1-amine
CID 115374405
N-[(5-chlorothiophen-2-yl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine
CID 105022772
N-[(3-chloro-4-methylphenyl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine
CID 105022789
N-[(5-methyl-3-pyridinyl)-(2-methylpyrimidin-4-yl)methyl]propan-1-amine
CID 115530971
N-[(2-bromophenyl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine
CID 115374411
N-[(2-methylfuran-3-yl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine
CID 113453420
N-[(4-ethoxyphenyl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine
CID 105022903
N-[(2,6-difluoro-3-methylphenyl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine
CID 105023117
N-[(3-fluorophenyl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine
CID 115374247
N-[(3-fluoro-2-pyridinyl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine
CID 115374969

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-3-pyridinyl)-(4-propan-2-ylthiadiazol-5-yl)methyl]propan-1-amine?
The IUPAC name of N-[(5-methyl-3-pyridinyl)-(4-propan-2-ylthiadiazol-5-yl)methyl]propan-1-amine (CID 105173924) is N-[(5-methyl-3-pyridinyl)-(4-propan-2-ylthiadiazol-5-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(5-methyl-3-pyridinyl)-(4-propan-2-ylthiadiazol-5-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(5-methyl-3-pyridinyl)-(4-propan-2-ylthiadiazol-5-yl)methyl]propan-1-amine is CCCNC(c1cncc(C)c1)c1snnc1C(C)C.
What is the InChIKey of N-[(5-methyl-3-pyridinyl)-(4-propan-2-ylthiadiazol-5-yl)methyl]propan-1-amine?
The InChIKey is OKSOQSBRKZDIMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4S/c1-5-6-17-14(12-7-11(4)8-16-9-12)15-13(10(2)3)18-19-20-15/h7-10,14,17H,5-6H2,1-4H3.
What are the key properties of N-[(5-methyl-3-pyridinyl)-(4-propan-2-ylthiadiazol-5-yl)methyl]propan-1-amine?
N-[(5-methyl-3-pyridinyl)-(4-propan-2-ylthiadiazol-5-yl)methyl]propan-1-amine has a molecular weight of 290.44 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-3-pyridinyl)-(4-propan-2-ylthiadiazol-5-yl)methyl]propan-1-amine is sourced from PubChem (CID 105173924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).