N-methyl-1-(4-methylfuran-3-yl)-1-(thiadiazol-5-yl)methanamine

C9H11N3OS — CID 130848665

IUPACN-methyl-1-(4-methylfuran-3-yl)-1-(thiadiazol-5-yl)methanamine
SMILESCNC(c1cnns1)c1cocc1C
InChIInChI=1S/C9H11N3OS/c1-6-4-13-5-7(6)9(10-2)8-3-11-12-14-8/h3-5,9-10H,1-2H3
InChIKeyQMXLRIYURYVNEE-UHFFFAOYSA-N
MW209.27 g/mol
LogP1.75
Rot. Bonds3

About N-methyl-1-(4-methylfuran-3-yl)-1-(thiadiazol-5-yl)methanamine

N-methyl-1-(4-methylfuran-3-yl)-1-(thiadiazol-5-yl)methanamine (PubChem CID 130848665) has the molecular formula C9H11N3OS and a molecular weight of 209.27 g/mol. Its IUPAC name is N-methyl-1-(4-methylfuran-3-yl)-1-(thiadiazol-5-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(4-methylfuran-3-yl)-1-(thiadiazol-5-yl)methanamine
PubChem CID130848665
Molecular FormulaC9H11N3OS
Molecular Weight209.27 g/mol
Exact Mass209.06
IUPAC NameN-methyl-1-(4-methylfuran-3-yl)-1-(thiadiazol-5-yl)methanamine
SMILESCNC(c1cnns1)c1cocc1C
InChIInChI=1S/C9H11N3OS/c1-6-4-13-5-7(6)9(10-2)8-3-11-12-14-8/h3-5,9-10H,1-2H3
InChIKeyQMXLRIYURYVNEE-UHFFFAOYSA-N
XLogP1.75
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,3-difluoro-4-methylphenyl)-N-methyl-1-(thiadiazol-5-yl)methanamine
CID 107515323
1-(2,5-dimethylphenyl)-N-methyl-1-(thiadiazol-5-yl)methanamine
CID 105120600
1-(4-fluoro-2-methylphenyl)-N-methyl-1-(thiadiazol-5-yl)methanamine
CID 105142882
1-(4-fluoro-3-methylphenyl)-N-methyl-1-(thiadiazol-5-yl)methanamine
CID 105143087
1-(3-fluoro-5-methylphenyl)-N-methyl-1-(thiadiazol-5-yl)methanamine
CID 105170095
1-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(thiadiazol-5-yl)methanamine
CID 105189498
1-(2-methoxy-4,6-dimethylphenyl)-N-methyl-1-(thiadiazol-5-yl)methanamine
CID 106682307
1-(5-bromo-3-methyltriazol-4-yl)-N-methyl-1-(thiadiazol-5-yl)methanamine
CID 106464914
1-(3-bromothiophen-2-yl)-N-methyl-1-(thiadiazol-5-yl)methanamine
CID 105173140
1-(5-fluoro-3-pyridinyl)-N-methyl-1-(thiadiazol-5-yl)methanamine
CID 105102667
N-methyl-1-(1-propylimidazol-2-yl)-1-(thiadiazol-5-yl)methanamine
CID 65215167
N-methyl-1-(5-propoxy-3-pyridinyl)-1-(thiadiazol-5-yl)methanamine
CID 105175758

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-methylfuran-3-yl)-1-(thiadiazol-5-yl)methanamine?
The IUPAC name of N-methyl-1-(4-methylfuran-3-yl)-1-(thiadiazol-5-yl)methanamine (CID 130848665) is N-methyl-1-(4-methylfuran-3-yl)-1-(thiadiazol-5-yl)methanamine.
What is the SMILES notation for N-methyl-1-(4-methylfuran-3-yl)-1-(thiadiazol-5-yl)methanamine?
The canonical SMILES for N-methyl-1-(4-methylfuran-3-yl)-1-(thiadiazol-5-yl)methanamine is CNC(c1cnns1)c1cocc1C.
What is the InChIKey of N-methyl-1-(4-methylfuran-3-yl)-1-(thiadiazol-5-yl)methanamine?
The InChIKey is QMXLRIYURYVNEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3OS/c1-6-4-13-5-7(6)9(10-2)8-3-11-12-14-8/h3-5,9-10H,1-2H3.
What are the key properties of N-methyl-1-(4-methylfuran-3-yl)-1-(thiadiazol-5-yl)methanamine?
N-methyl-1-(4-methylfuran-3-yl)-1-(thiadiazol-5-yl)methanamine has a molecular weight of 209.27 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-methylfuran-3-yl)-1-(thiadiazol-5-yl)methanamine is sourced from PubChem (CID 130848665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).