[1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]imidazol-4-yl]methanamine

C10H14N4S — CID 106718078

IUPAC[1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]imidazol-4-yl]methanamine
SMILESCc1nc(Cn2cnc(CN)c2)sc1C
InChIInChI=1S/C10H14N4S/c1-7-8(2)15-10(13-7)5-14-4-9(3-11)12-6-14/h4,6H,3,5,11H2,1-2H3
InChIKeyIPKQZYLEOXSZFC-UHFFFAOYSA-N
MW222.32 g/mol
LogP1.46
Rot. Bonds3

About [1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]imidazol-4-yl]methanamine

[1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]imidazol-4-yl]methanamine (PubChem CID 106718078) has the molecular formula C10H14N4S and a molecular weight of 222.32 g/mol. Its IUPAC name is [1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]imidazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]imidazol-4-yl]methanamine
PubChem CID106718078
Molecular FormulaC10H14N4S
Molecular Weight222.32 g/mol
Exact Mass222.09
IUPAC Name[1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]imidazol-4-yl]methanamine
SMILESCc1nc(Cn2cnc(CN)c2)sc1C
InChIInChI=1S/C10H14N4S/c1-7-8(2)15-10(13-7)5-14-4-9(3-11)12-6-14/h4,6H,3,5,11H2,1-2H3
InChIKeyIPKQZYLEOXSZFC-UHFFFAOYSA-N
XLogP1.46
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.32
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]imidazol-4-yl]methanamine?
The IUPAC name of [1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]imidazol-4-yl]methanamine (CID 106718078) is [1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]imidazol-4-yl]methanamine.
What is the SMILES notation for [1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]imidazol-4-yl]methanamine?
The canonical SMILES for [1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]imidazol-4-yl]methanamine is Cc1nc(Cn2cnc(CN)c2)sc1C.
What is the InChIKey of [1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]imidazol-4-yl]methanamine?
The InChIKey is IPKQZYLEOXSZFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4S/c1-7-8(2)15-10(13-7)5-14-4-9(3-11)12-6-14/h4,6H,3,5,11H2,1-2H3.
What are the key properties of [1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]imidazol-4-yl]methanamine?
[1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]imidazol-4-yl]methanamine has a molecular weight of 222.32 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]imidazol-4-yl]methanamine is sourced from PubChem (CID 106718078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).