(1-methylimidazol-4-yl)-(4-methylthiadiazol-5-yl)methanamine

C8H11N5S — CID 130509742

IUPAC(1-methylimidazol-4-yl)-(4-methylthiadiazol-5-yl)methanamine
SMILESCc1nnsc1C(N)c1cn(C)cn1
InChIInChI=1S/C8H11N5S/c1-5-8(14-12-11-5)7(9)6-3-13(2)4-10-6/h3-4,7H,9H2,1-2H3
InChIKeyWDQNHNQWMYTJRM-UHFFFAOYSA-N
MW209.28 g/mol
LogP0.63
Rot. Bonds2

About (1-methylimidazol-4-yl)-(4-methylthiadiazol-5-yl)methanamine

(1-methylimidazol-4-yl)-(4-methylthiadiazol-5-yl)methanamine (PubChem CID 130509742) has the molecular formula C8H11N5S and a molecular weight of 209.28 g/mol. Its IUPAC name is (1-methylimidazol-4-yl)-(4-methylthiadiazol-5-yl)methanamine.

Molecular Properties

Compound Name(1-methylimidazol-4-yl)-(4-methylthiadiazol-5-yl)methanamine
PubChem CID130509742
Molecular FormulaC8H11N5S
Molecular Weight209.28 g/mol
Exact Mass209.07
IUPAC Name(1-methylimidazol-4-yl)-(4-methylthiadiazol-5-yl)methanamine
SMILESCc1nnsc1C(N)c1cn(C)cn1
InChIInChI=1S/C8H11N5S/c1-5-8(14-12-11-5)7(9)6-3-13(2)4-10-6/h3-4,7H,9H2,1-2H3
InChIKeyWDQNHNQWMYTJRM-UHFFFAOYSA-N
XLogP0.63
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.28
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(1R)-1-(1-methylimidazol-4-yl)ethanamine;dihydrochloride
CID 162341661
(1S)-1-(1-methylimidazol-4-yl)ethanamine
CID 96637865
(1-methylimidazol-4-yl)-(1-methylpyrazol-3-yl)methanamine
CID 107977933
(2-methylpyrazol-3-yl)-(4-methylthiadiazol-5-yl)methanamine
CID 105148761
(4-methylthiadiazol-5-yl)-phenylmethanamine
CID 105084242
(4-tert-butylphenyl)-(1-methylimidazol-4-yl)methanamine
CID 107974705
2-amino-1-(1-methylimidazol-4-yl)propan-1-ol
CID 130598579
3-methyl-1-(1-methylimidazol-4-yl)but-2-en-1-amine
CID 107976194
1-(1-methylimidazol-4-yl)but-3-yn-1-amine
CID 107973346
(4-fluorophenyl)-(4-methylthiadiazol-5-yl)methanamine
CID 105088292
(4-methylthiadiazol-5-yl)-(2-propylpyrazol-3-yl)methanamine
CID 105148203
(1-methylimidazol-4-yl)-[4-(trifluoromethyl)phenyl]methanamine
CID 114022944

Frequently Asked Questions

What is the IUPAC name of (1-methylimidazol-4-yl)-(4-methylthiadiazol-5-yl)methanamine?
The IUPAC name of (1-methylimidazol-4-yl)-(4-methylthiadiazol-5-yl)methanamine (CID 130509742) is (1-methylimidazol-4-yl)-(4-methylthiadiazol-5-yl)methanamine.
What is the SMILES notation for (1-methylimidazol-4-yl)-(4-methylthiadiazol-5-yl)methanamine?
The canonical SMILES for (1-methylimidazol-4-yl)-(4-methylthiadiazol-5-yl)methanamine is Cc1nnsc1C(N)c1cn(C)cn1.
What is the InChIKey of (1-methylimidazol-4-yl)-(4-methylthiadiazol-5-yl)methanamine?
The InChIKey is WDQNHNQWMYTJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5S/c1-5-8(14-12-11-5)7(9)6-3-13(2)4-10-6/h3-4,7H,9H2,1-2H3.
What are the key properties of (1-methylimidazol-4-yl)-(4-methylthiadiazol-5-yl)methanamine?
(1-methylimidazol-4-yl)-(4-methylthiadiazol-5-yl)methanamine has a molecular weight of 209.28 g/mol, XLogP of 0.63, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylimidazol-4-yl)-(4-methylthiadiazol-5-yl)methanamine is sourced from PubChem (CID 130509742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).