2-amino-1-(3-methoxy-1,2-thiazol-5-yl)propan-1-one

C7H10N2O2S — CID 127000407

IUPAC2-amino-1-(3-methoxy-1,2-thiazol-5-yl)propan-1-one
SMILESCOc1cc(C(=O)C(C)N)sn1
InChIInChI=1S/C7H10N2O2S/c1-4(8)7(10)5-3-6(11-2)9-12-5/h3-4H,8H2,1-2H3
InChIKeyNQHWWBSSXLFGFB-UHFFFAOYSA-N
MW186.24 g/mol
LogP0.68
Rot. Bonds3

About 2-amino-1-(3-methoxy-1,2-thiazol-5-yl)propan-1-one

2-amino-1-(3-methoxy-1,2-thiazol-5-yl)propan-1-one (PubChem CID 127000407) has the molecular formula C7H10N2O2S and a molecular weight of 186.24 g/mol. Its IUPAC name is 2-amino-1-(3-methoxy-1,2-thiazol-5-yl)propan-1-one.

Molecular Properties

Compound Name2-amino-1-(3-methoxy-1,2-thiazol-5-yl)propan-1-one
PubChem CID127000407
Molecular FormulaC7H10N2O2S
Molecular Weight186.24 g/mol
Exact Mass186.05
IUPAC Name2-amino-1-(3-methoxy-1,2-thiazol-5-yl)propan-1-one
SMILESCOc1cc(C(=O)C(C)N)sn1
InChIInChI=1S/C7H10N2O2S/c1-4(8)7(10)5-3-6(11-2)9-12-5/h3-4H,8H2,1-2H3
InChIKeyNQHWWBSSXLFGFB-UHFFFAOYSA-N
XLogP0.68
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3-methoxy-1,2-thiazol-5-yl)propan-1-one?
The IUPAC name of 2-amino-1-(3-methoxy-1,2-thiazol-5-yl)propan-1-one (CID 127000407) is 2-amino-1-(3-methoxy-1,2-thiazol-5-yl)propan-1-one.
What is the SMILES notation for 2-amino-1-(3-methoxy-1,2-thiazol-5-yl)propan-1-one?
The canonical SMILES for 2-amino-1-(3-methoxy-1,2-thiazol-5-yl)propan-1-one is COc1cc(C(=O)C(C)N)sn1.
What is the InChIKey of 2-amino-1-(3-methoxy-1,2-thiazol-5-yl)propan-1-one?
The InChIKey is NQHWWBSSXLFGFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2S/c1-4(8)7(10)5-3-6(11-2)9-12-5/h3-4H,8H2,1-2H3.
What are the key properties of 2-amino-1-(3-methoxy-1,2-thiazol-5-yl)propan-1-one?
2-amino-1-(3-methoxy-1,2-thiazol-5-yl)propan-1-one has a molecular weight of 186.24 g/mol, XLogP of 0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3-methoxy-1,2-thiazol-5-yl)propan-1-one is sourced from PubChem (CID 127000407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).