1-[2-(3-methylimidazol-4-yl)-1,3-thiazol-5-yl]ethanamine

C9H12N4S — CID 66118508

IUPAC1-[2-(3-methylimidazol-4-yl)-1,3-thiazol-5-yl]ethanamine
SMILESCC(N)c1cnc(-c2cncn2C)s1
InChIInChI=1S/C9H12N4S/c1-6(10)8-4-12-9(14-8)7-3-11-5-13(7)2/h3-6H,10H2,1-2H3
InChIKeySABGIRLBZJFHCR-UHFFFAOYSA-N
MW208.29 g/mol
LogP1.56
Rot. Bonds2

About 1-[2-(3-methylimidazol-4-yl)-1,3-thiazol-5-yl]ethanamine

1-[2-(3-methylimidazol-4-yl)-1,3-thiazol-5-yl]ethanamine (PubChem CID 66118508) has the molecular formula C9H12N4S and a molecular weight of 208.29 g/mol. Its IUPAC name is 1-[2-(3-methylimidazol-4-yl)-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound Name1-[2-(3-methylimidazol-4-yl)-1,3-thiazol-5-yl]ethanamine
PubChem CID66118508
Molecular FormulaC9H12N4S
Molecular Weight208.29 g/mol
Exact Mass208.08
IUPAC Name1-[2-(3-methylimidazol-4-yl)-1,3-thiazol-5-yl]ethanamine
SMILESCC(N)c1cnc(-c2cncn2C)s1
InChIInChI=1S/C9H12N4S/c1-6(10)8-4-12-9(14-8)7-3-11-5-13(7)2/h3-6H,10H2,1-2H3
InChIKeySABGIRLBZJFHCR-UHFFFAOYSA-N
XLogP1.56
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methylimidazol-4-yl)-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of 1-[2-(3-methylimidazol-4-yl)-1,3-thiazol-5-yl]ethanamine (CID 66118508) is 1-[2-(3-methylimidazol-4-yl)-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for 1-[2-(3-methylimidazol-4-yl)-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for 1-[2-(3-methylimidazol-4-yl)-1,3-thiazol-5-yl]ethanamine is CC(N)c1cnc(-c2cncn2C)s1.
What is the InChIKey of 1-[2-(3-methylimidazol-4-yl)-1,3-thiazol-5-yl]ethanamine?
The InChIKey is SABGIRLBZJFHCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4S/c1-6(10)8-4-12-9(14-8)7-3-11-5-13(7)2/h3-6H,10H2,1-2H3.
What are the key properties of 1-[2-(3-methylimidazol-4-yl)-1,3-thiazol-5-yl]ethanamine?
1-[2-(3-methylimidazol-4-yl)-1,3-thiazol-5-yl]ethanamine has a molecular weight of 208.29 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methylimidazol-4-yl)-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 66118508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).