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

C8H12N2OS — CID 130706192

IUPAC2-amino-2-methyl-1-(3-methyl-1,2-thiazol-5-yl)propan-1-one
SMILESCc1cc(C(=O)C(C)(C)N)sn1
InChIInChI=1S/C8H12N2OS/c1-5-4-6(12-10-5)7(11)8(2,3)9/h4H,9H2,1-3H3
InChIKeyJSVZJCAJJPYWFH-UHFFFAOYSA-N
MW184.26 g/mol
LogP1.37
Rot. Bonds2

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

2-amino-2-methyl-1-(3-methyl-1,2-thiazol-5-yl)propan-1-one (PubChem CID 130706192) has the molecular formula C8H12N2OS and a molecular weight of 184.26 g/mol. Its IUPAC name is 2-amino-2-methyl-1-(3-methyl-1,2-thiazol-5-yl)propan-1-one.

Molecular Properties

Compound Name2-amino-2-methyl-1-(3-methyl-1,2-thiazol-5-yl)propan-1-one
PubChem CID130706192
Molecular FormulaC8H12N2OS
Molecular Weight184.26 g/mol
Exact Mass184.07
IUPAC Name2-amino-2-methyl-1-(3-methyl-1,2-thiazol-5-yl)propan-1-one
SMILESCc1cc(C(=O)C(C)(C)N)sn1
InChIInChI=1S/C8H12N2OS/c1-5-4-6(12-10-5)7(11)8(2,3)9/h4H,9H2,1-3H3
InChIKeyJSVZJCAJJPYWFH-UHFFFAOYSA-N
XLogP1.37
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-1-(3-methyl-1,2-thiazol-5-yl)propan-1-one?
The IUPAC name of 2-amino-2-methyl-1-(3-methyl-1,2-thiazol-5-yl)propan-1-one (CID 130706192) is 2-amino-2-methyl-1-(3-methyl-1,2-thiazol-5-yl)propan-1-one.
What is the SMILES notation for 2-amino-2-methyl-1-(3-methyl-1,2-thiazol-5-yl)propan-1-one?
The canonical SMILES for 2-amino-2-methyl-1-(3-methyl-1,2-thiazol-5-yl)propan-1-one is Cc1cc(C(=O)C(C)(C)N)sn1.
What is the InChIKey of 2-amino-2-methyl-1-(3-methyl-1,2-thiazol-5-yl)propan-1-one?
The InChIKey is JSVZJCAJJPYWFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2OS/c1-5-4-6(12-10-5)7(11)8(2,3)9/h4H,9H2,1-3H3.
What are the key properties of 2-amino-2-methyl-1-(3-methyl-1,2-thiazol-5-yl)propan-1-one?
2-amino-2-methyl-1-(3-methyl-1,2-thiazol-5-yl)propan-1-one has a molecular weight of 184.26 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-1-(3-methyl-1,2-thiazol-5-yl)propan-1-one is sourced from PubChem (CID 130706192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).