1-(2-amino-1,3-thiazol-4-yl)propan-2-one

C6H8N2OS — CID 22977217

IUPAC1-(2-amino-1,3-thiazol-4-yl)propan-2-one
SMILESCC(=O)Cc1csc(N)n1
InChIInChI=1S/C6H8N2OS/c1-4(9)2-5-3-10-6(7)8-5/h3H,2H2,1H3,(H2,7,8)
InChIKeyMGTFCPWYTKWULX-UHFFFAOYSA-N
MW156.21 g/mol
LogP0.86
Rot. Bonds2

About 1-(2-amino-1,3-thiazol-4-yl)propan-2-one

1-(2-amino-1,3-thiazol-4-yl)propan-2-one (PubChem CID 22977217) has the molecular formula C6H8N2OS and a molecular weight of 156.21 g/mol. Its IUPAC name is 1-(2-amino-1,3-thiazol-4-yl)propan-2-one.

Molecular Properties

Compound Name1-(2-amino-1,3-thiazol-4-yl)propan-2-one
PubChem CID22977217
Molecular FormulaC6H8N2OS
Molecular Weight156.21 g/mol
Exact Mass156.04
IUPAC Name1-(2-amino-1,3-thiazol-4-yl)propan-2-one
SMILESCC(=O)Cc1csc(N)n1
InChIInChI=1S/C6H8N2OS/c1-4(9)2-5-3-10-6(7)8-5/h3H,2H2,1H3,(H2,7,8)
InChIKeyMGTFCPWYTKWULX-UHFFFAOYSA-N
XLogP0.86
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.21
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-1,3-thiazol-4-yl)propan-2-one?
The IUPAC name of 1-(2-amino-1,3-thiazol-4-yl)propan-2-one (CID 22977217) is 1-(2-amino-1,3-thiazol-4-yl)propan-2-one.
What is the SMILES notation for 1-(2-amino-1,3-thiazol-4-yl)propan-2-one?
The canonical SMILES for 1-(2-amino-1,3-thiazol-4-yl)propan-2-one is CC(=O)Cc1csc(N)n1.
What is the InChIKey of 1-(2-amino-1,3-thiazol-4-yl)propan-2-one?
The InChIKey is MGTFCPWYTKWULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2OS/c1-4(9)2-5-3-10-6(7)8-5/h3H,2H2,1H3,(H2,7,8).
What are the key properties of 1-(2-amino-1,3-thiazol-4-yl)propan-2-one?
1-(2-amino-1,3-thiazol-4-yl)propan-2-one has a molecular weight of 156.21 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-1,3-thiazol-4-yl)propan-2-one is sourced from PubChem (CID 22977217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).