N-methyl-1-(5-propoxy-3-pyridinyl)-1-(thiadiazol-5-yl)methanamine

C12H16N4OS — CID 105175758

IUPACN-methyl-1-(5-propoxy-3-pyridinyl)-1-(thiadiazol-5-yl)methanamine
SMILESCCCOc1cncc(C(NC)c2cnns2)c1
InChIInChI=1S/C12H16N4OS/c1-3-4-17-10-5-9(6-14-7-10)12(13-2)11-8-15-16-18-11/h5-8,12-13H,3-4H2,1-2H3
InChIKeyILWARIYXVXSHKM-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.03
Rot. Bonds6

About N-methyl-1-(5-propoxy-3-pyridinyl)-1-(thiadiazol-5-yl)methanamine

N-methyl-1-(5-propoxy-3-pyridinyl)-1-(thiadiazol-5-yl)methanamine (PubChem CID 105175758) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is N-methyl-1-(5-propoxy-3-pyridinyl)-1-(thiadiazol-5-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(5-propoxy-3-pyridinyl)-1-(thiadiazol-5-yl)methanamine
PubChem CID105175758
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC NameN-methyl-1-(5-propoxy-3-pyridinyl)-1-(thiadiazol-5-yl)methanamine
SMILESCCCOc1cncc(C(NC)c2cnns2)c1
InChIInChI=1S/C12H16N4OS/c1-3-4-17-10-5-9(6-14-7-10)12(13-2)11-8-15-16-18-11/h5-8,12-13H,3-4H2,1-2H3
InChIKeyILWARIYXVXSHKM-UHFFFAOYSA-N
XLogP2.03
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4,5-dimethylthiophen-2-yl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine
CID 105026807
1-(5-chlorothiophen-2-yl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine
CID 105026778
1-(3,5-dimethylphenyl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine
CID 105026730
1-(5-fluoro-3-pyridinyl)-N-methyl-1-(thiadiazol-5-yl)methanamine
CID 105102667
1-(3,5-dichlorophenyl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine
CID 105026931
1-(3,4-dimethylphenyl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine
CID 105026781
N-[(4-propoxyphenyl)-(thiadiazol-5-yl)methyl]ethanamine
CID 105144208
[(4-methylthiadiazol-5-yl)-(5-propoxy-3-pyridinyl)methyl]hydrazine
CID 105330043
2,2,2-trifluoro-N-methyl-1-(5-propoxy-3-pyridinyl)ethanamine
CID 105026955
1-(6-methoxypyridazin-3-yl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine
CID 103374212
[(5-propoxy-3-pyridinyl)-thiophen-2-ylmethyl]hydrazine
CID 105193764
N-methyl-1-(2-methyl-3-pyridinyl)-1-(5-propoxy-3-pyridinyl)methanamine
CID 105175626

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(5-propoxy-3-pyridinyl)-1-(thiadiazol-5-yl)methanamine?
The IUPAC name of N-methyl-1-(5-propoxy-3-pyridinyl)-1-(thiadiazol-5-yl)methanamine (CID 105175758) is N-methyl-1-(5-propoxy-3-pyridinyl)-1-(thiadiazol-5-yl)methanamine.
What is the SMILES notation for N-methyl-1-(5-propoxy-3-pyridinyl)-1-(thiadiazol-5-yl)methanamine?
The canonical SMILES for N-methyl-1-(5-propoxy-3-pyridinyl)-1-(thiadiazol-5-yl)methanamine is CCCOc1cncc(C(NC)c2cnns2)c1.
What is the InChIKey of N-methyl-1-(5-propoxy-3-pyridinyl)-1-(thiadiazol-5-yl)methanamine?
The InChIKey is ILWARIYXVXSHKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS/c1-3-4-17-10-5-9(6-14-7-10)12(13-2)11-8-15-16-18-11/h5-8,12-13H,3-4H2,1-2H3.
What are the key properties of N-methyl-1-(5-propoxy-3-pyridinyl)-1-(thiadiazol-5-yl)methanamine?
N-methyl-1-(5-propoxy-3-pyridinyl)-1-(thiadiazol-5-yl)methanamine has a molecular weight of 264.35 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(5-propoxy-3-pyridinyl)-1-(thiadiazol-5-yl)methanamine is sourced from PubChem (CID 105175758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).