[2-(1-methylimidazol-4-yl)-1,3-thiazol-4-yl]methanamine

C8H10N4S — CID 126985086

IUPAC[2-(1-methylimidazol-4-yl)-1,3-thiazol-4-yl]methanamine
SMILESCn1cnc(-c2nc(CN)cs2)c1
InChIInChI=1S/C8H10N4S/c1-12-3-7(10-5-12)8-11-6(2-9)4-13-8/h3-5H,2,9H2,1H3
InChIKeyOMBNLLHMFQRYSK-UHFFFAOYSA-N
MW194.26 g/mol
LogP1.00
Rot. Bonds2

About [2-(1-methylimidazol-4-yl)-1,3-thiazol-4-yl]methanamine

[2-(1-methylimidazol-4-yl)-1,3-thiazol-4-yl]methanamine (PubChem CID 126985086) has the molecular formula C8H10N4S and a molecular weight of 194.26 g/mol. Its IUPAC name is [2-(1-methylimidazol-4-yl)-1,3-thiazol-4-yl]methanamine.

Molecular Properties

Compound Name[2-(1-methylimidazol-4-yl)-1,3-thiazol-4-yl]methanamine
PubChem CID126985086
Molecular FormulaC8H10N4S
Molecular Weight194.26 g/mol
Exact Mass194.06
IUPAC Name[2-(1-methylimidazol-4-yl)-1,3-thiazol-4-yl]methanamine
SMILESCn1cnc(-c2nc(CN)cs2)c1
InChIInChI=1S/C8H10N4S/c1-12-3-7(10-5-12)8-11-6(2-9)4-13-8/h3-5H,2,9H2,1H3
InChIKeyOMBNLLHMFQRYSK-UHFFFAOYSA-N
XLogP1.00
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-2-(1-methylimidazol-4-yl)-1,3-thiazole
CID 173053610
1-[2-(1-methylimidazol-4-yl)-1,3-thiazol-4-yl]ethanamine
CID 130598698
2-(1-methylimidazol-4-yl)-1,3-thiazole-4-carboxylic acid
CID 82672744
[2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazol-4-yl]methanamine
CID 61280679
4-[4-(aminomethyl)-1,3-thiazol-2-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine
CID 11209142
(2-imidazo[2,1-b][1,3]thiazol-2-yl-1,3-thiazol-4-yl)methanamine
CID 82389158
[2-(1-hexylpyrazol-4-yl)-1,3-thiazol-4-yl]methanamine
CID 97178772
[2-(4-methoxy-3,5-dimethylphenyl)-1,3-thiazol-4-yl]methanamine
CID 82383295
4,4-dimethyl-2-(1-methylimidazol-4-yl)-5H-1,3-thiazole
CID 90255703
[2-(2,3,4-trimethylphenyl)-1,3-thiazol-4-yl]methanamine
CID 116868210
[2-(3-methylthiophen-2-yl)-1,3-thiazol-4-yl]methanamine
CID 61282401
(2-phenyl-1,3-thiazol-4-yl)methanamine;dihydrochloride
CID 13196628

Frequently Asked Questions

What is the IUPAC name of [2-(1-methylimidazol-4-yl)-1,3-thiazol-4-yl]methanamine?
The IUPAC name of [2-(1-methylimidazol-4-yl)-1,3-thiazol-4-yl]methanamine (CID 126985086) is [2-(1-methylimidazol-4-yl)-1,3-thiazol-4-yl]methanamine.
What is the SMILES notation for [2-(1-methylimidazol-4-yl)-1,3-thiazol-4-yl]methanamine?
The canonical SMILES for [2-(1-methylimidazol-4-yl)-1,3-thiazol-4-yl]methanamine is Cn1cnc(-c2nc(CN)cs2)c1.
What is the InChIKey of [2-(1-methylimidazol-4-yl)-1,3-thiazol-4-yl]methanamine?
The InChIKey is OMBNLLHMFQRYSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4S/c1-12-3-7(10-5-12)8-11-6(2-9)4-13-8/h3-5H,2,9H2,1H3.
What are the key properties of [2-(1-methylimidazol-4-yl)-1,3-thiazol-4-yl]methanamine?
[2-(1-methylimidazol-4-yl)-1,3-thiazol-4-yl]methanamine has a molecular weight of 194.26 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-methylimidazol-4-yl)-1,3-thiazol-4-yl]methanamine is sourced from PubChem (CID 126985086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).