1-[2-(Aminomethyl)-4-methyl-1,3-thiazol-5-yl]ethan-1-one

C7H10N2OS — CID 24274409

IUPAC1-[2-(aminomethyl)-4-methyl-1,3-thiazol-5-yl]ethanone
SMILESCC1=C(SC(=N1)CN)C(=O)C
InChIInChI=1S/C7H10N2OS/c1-4-7(5(2)10)11-6(3-8)9-4/h3,8H2,1-2H3
InChIKeyACOBFEDOCFEQBQ-UHFFFAOYSA-N
MW170.23 g/mol
LogP0.30
Rot. Bonds2

About 1-[2-(Aminomethyl)-4-methyl-1,3-thiazol-5-yl]ethan-1-one

1-[2-(Aminomethyl)-4-methyl-1,3-thiazol-5-yl]ethan-1-one (PubChem CID 24274409) has the molecular formula C7H10N2OS and a molecular weight of 170.23 g/mol. Its IUPAC name is 1-[2-(aminomethyl)-4-methyl-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-(Aminomethyl)-4-methyl-1,3-thiazol-5-yl]ethan-1-one
PubChem CID24274409
Molecular FormulaC7H10N2OS
Molecular Weight170.23 g/mol
Exact Mass170.05
IUPAC Name1-[2-(aminomethyl)-4-methyl-1,3-thiazol-5-yl]ethanone
SMILESCC1=C(SC(=N1)CN)C(=O)C
InChIInChI=1S/C7H10N2OS/c1-4-7(5(2)10)11-6(3-8)9-4/h3,8H2,1-2H3
InChIKeyACOBFEDOCFEQBQ-UHFFFAOYSA-N
XLogP0.30
TPSA84.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity163

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.23
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-Dimethyl-5-acetylthiazole
CID 520888
5-Acetyl-2-amino-4-methylthiazole
CID 720882
2-Bromo-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethan-1-one
CID 12668422
2-Bromo-1-(dimethyl-1,3-thiazol-5-yl)ethan-1-one hydrobromide
CID 12668423
1-(2-Tert-butyl-4-methyl-1,3-thiazol-5-yl)ethan-1-one
CID 23590667
2-Amino-1-(4-methyl-1,3-thiazol-5-yl)ethan-1-one hydrochloride
CID 155973819
tert-butyl N-[(5-acetyl-4-methyl-1,3-thiazol-2-yl)methyl]carbamate
CID 162757034
Ethanone, 1-(2,4-dimethyl-5-thiazolyl)-, hydrochloride
CID 12429409
1-[2-(2-Methoxyethyl)-4-methyl-1,3-thiazol-5-yl]ethan-1-one
CID 61058984
2-Amino-1-(4-methyl-2-(propan-2-yl)-1,3-thiazol-5-yl)ethan-1-one dihydrochloride
CID 134690904
1-(2-Chloro-4-methylthiazol-5-yl)ethanone
CID 57190392
3-(Dimethylamino)-1-(2,4-dimethylthiazol-5-yl)prop-2-en-1-one
CID 67269497

Frequently Asked Questions

What is the IUPAC name of 1-[2-(Aminomethyl)-4-methyl-1,3-thiazol-5-yl]ethan-1-one?
The IUPAC name of 1-[2-(Aminomethyl)-4-methyl-1,3-thiazol-5-yl]ethan-1-one (CID 24274409) is 1-[2-(aminomethyl)-4-methyl-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[2-(Aminomethyl)-4-methyl-1,3-thiazol-5-yl]ethan-1-one?
The canonical SMILES for 1-[2-(Aminomethyl)-4-methyl-1,3-thiazol-5-yl]ethan-1-one is CC1=C(SC(=N1)CN)C(=O)C.
What is the InChIKey of 1-[2-(Aminomethyl)-4-methyl-1,3-thiazol-5-yl]ethan-1-one?
The InChIKey is ACOBFEDOCFEQBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2OS/c1-4-7(5(2)10)11-6(3-8)9-4/h3,8H2,1-2H3.
What are the key properties of 1-[2-(Aminomethyl)-4-methyl-1,3-thiazol-5-yl]ethan-1-one?
1-[2-(Aminomethyl)-4-methyl-1,3-thiazol-5-yl]ethan-1-one has a molecular weight of 170.23 g/mol, XLogP of 0.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(Aminomethyl)-4-methyl-1,3-thiazol-5-yl]ethan-1-one is sourced from PubChem (CID 24274409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).