1-(4-tert-butylthiadiazol-5-yl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine

C14H20N4S — CID 105173976

IUPAC1-(4-tert-butylthiadiazol-5-yl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine
SMILESCNC(c1cncc(C)c1)c1snnc1C(C)(C)C
InChIInChI=1S/C14H20N4S/c1-9-6-10(8-16-7-9)11(15-5)12-13(14(2,3)4)17-18-19-12/h6-8,11,15H,1-5H3
InChIKeyPNIZMOJCTKEIQR-UHFFFAOYSA-N
MW276.41 g/mol
LogP2.85
Rot. Bonds3

About 1-(4-tert-butylthiadiazol-5-yl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine

1-(4-tert-butylthiadiazol-5-yl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine (PubChem CID 105173976) has the molecular formula C14H20N4S and a molecular weight of 276.41 g/mol. Its IUPAC name is 1-(4-tert-butylthiadiazol-5-yl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine.

Molecular Properties

Compound Name1-(4-tert-butylthiadiazol-5-yl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine
PubChem CID105173976
Molecular FormulaC14H20N4S
Molecular Weight276.41 g/mol
Exact Mass276.14
IUPAC Name1-(4-tert-butylthiadiazol-5-yl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine
SMILESCNC(c1cncc(C)c1)c1snnc1C(C)(C)C
InChIInChI=1S/C14H20N4S/c1-9-6-10(8-16-7-9)11(15-5)12-13(14(2,3)4)17-18-19-12/h6-8,11,15H,1-5H3
InChIKeyPNIZMOJCTKEIQR-UHFFFAOYSA-N
XLogP2.85
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-tert-butylthiadiazol-5-yl)-1-(3-chloro-4-methylphenyl)-N-methylmethanamine
CID 107561888
1-(4-tert-butylthiadiazol-5-yl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine
CID 107130322
N-[(4-tert-butylthiadiazol-5-yl)-(3,5-dimethylphenyl)methyl]ethanamine
CID 105096903
1-(3-chloro-5-methylphenyl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine
CID 105023291
N-methyl-1-(5-methyl-3-pyridinyl)-1-phenylmethanamine
CID 115374320
1-(4-tert-butylthiadiazol-5-yl)-1-(2,6-difluoro-3-methylphenyl)-N-methylmethanamine
CID 105175903
N-methyl-1-(5-methyl-3-pyridinyl)-1-(2,4,5-trimethylphenyl)methanamine
CID 105155131
1-(4-tert-butylthiadiazol-5-yl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine
CID 103134552
N-methyl-1-(5-methyl-3-pyridinyl)-1-pyridin-3-ylmethanamine
CID 115374295
1-(4-tert-butylthiadiazol-5-yl)-N-methyl-1-(2-methylpyrazol-3-yl)methanamine
CID 105148734
1-(3-ethylthiophen-2-yl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine
CID 105022948
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-1-(4-tert-butylthiadiazol-5-yl)-N-methylmethanamine
CID 105183959

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylthiadiazol-5-yl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine?
The IUPAC name of 1-(4-tert-butylthiadiazol-5-yl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine (CID 105173976) is 1-(4-tert-butylthiadiazol-5-yl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine.
What is the SMILES notation for 1-(4-tert-butylthiadiazol-5-yl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine?
The canonical SMILES for 1-(4-tert-butylthiadiazol-5-yl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine is CNC(c1cncc(C)c1)c1snnc1C(C)(C)C.
What is the InChIKey of 1-(4-tert-butylthiadiazol-5-yl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine?
The InChIKey is PNIZMOJCTKEIQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4S/c1-9-6-10(8-16-7-9)11(15-5)12-13(14(2,3)4)17-18-19-12/h6-8,11,15H,1-5H3.
What are the key properties of 1-(4-tert-butylthiadiazol-5-yl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine?
1-(4-tert-butylthiadiazol-5-yl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine has a molecular weight of 276.41 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylthiadiazol-5-yl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine is sourced from PubChem (CID 105173976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).