1-[2-(aminomethyl)-1,3-thiazol-4-yl]propan-1-one

C7H10N2OS — CID 67482149

IUPAC1-[2-(aminomethyl)-1,3-thiazol-4-yl]propan-1-one
SMILESCCC(=O)c1csc(CN)n1
InChIInChI=1S/C7H10N2OS/c1-2-6(10)5-4-11-7(3-8)9-5/h4H,2-3,8H2,1H3
InChIKeyQJZLLUBBNFZQEJ-UHFFFAOYSA-N
MW170.24 g/mol
LogP1.19
Rot. Bonds3

About 1-[2-(aminomethyl)-1,3-thiazol-4-yl]propan-1-one

1-[2-(aminomethyl)-1,3-thiazol-4-yl]propan-1-one (PubChem CID 67482149) has the molecular formula C7H10N2OS and a molecular weight of 170.24 g/mol. Its IUPAC name is 1-[2-(aminomethyl)-1,3-thiazol-4-yl]propan-1-one.

Molecular Properties

Compound Name1-[2-(aminomethyl)-1,3-thiazol-4-yl]propan-1-one
PubChem CID67482149
Molecular FormulaC7H10N2OS
Molecular Weight170.24 g/mol
Exact Mass170.05
IUPAC Name1-[2-(aminomethyl)-1,3-thiazol-4-yl]propan-1-one
SMILESCCC(=O)c1csc(CN)n1
InChIInChI=1S/C7H10N2OS/c1-2-6(10)5-4-11-7(3-8)9-5/h4H,2-3,8H2,1H3
InChIKeyQJZLLUBBNFZQEJ-UHFFFAOYSA-N
XLogP1.19
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.24
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)-1,3-thiazol-4-yl]propan-1-one?
The IUPAC name of 1-[2-(aminomethyl)-1,3-thiazol-4-yl]propan-1-one (CID 67482149) is 1-[2-(aminomethyl)-1,3-thiazol-4-yl]propan-1-one.
What is the SMILES notation for 1-[2-(aminomethyl)-1,3-thiazol-4-yl]propan-1-one?
The canonical SMILES for 1-[2-(aminomethyl)-1,3-thiazol-4-yl]propan-1-one is CCC(=O)c1csc(CN)n1.
What is the InChIKey of 1-[2-(aminomethyl)-1,3-thiazol-4-yl]propan-1-one?
The InChIKey is QJZLLUBBNFZQEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2OS/c1-2-6(10)5-4-11-7(3-8)9-5/h4H,2-3,8H2,1H3.
What are the key properties of 1-[2-(aminomethyl)-1,3-thiazol-4-yl]propan-1-one?
1-[2-(aminomethyl)-1,3-thiazol-4-yl]propan-1-one has a molecular weight of 170.24 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)-1,3-thiazol-4-yl]propan-1-one is sourced from PubChem (CID 67482149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).