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

C8H12N2OS — CID 130942696

IUPAC2-methyl-2-(methylamino)-1-(1,2-thiazol-5-yl)propan-1-one
SMILESCNC(C)(C)C(=O)c1ccns1
InChIInChI=1S/C8H12N2OS/c1-8(2,9-3)7(11)6-4-5-10-12-6/h4-5,9H,1-3H3
InChIKeyMPHZCOIUHBWYHQ-UHFFFAOYSA-N
MW184.26 g/mol
LogP1.32
Rot. Bonds3

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

2-methyl-2-(methylamino)-1-(1,2-thiazol-5-yl)propan-1-one (PubChem CID 130942696) has the molecular formula C8H12N2OS and a molecular weight of 184.26 g/mol. Its IUPAC name is 2-methyl-2-(methylamino)-1-(1,2-thiazol-5-yl)propan-1-one.

Molecular Properties

Compound Name2-methyl-2-(methylamino)-1-(1,2-thiazol-5-yl)propan-1-one
PubChem CID130942696
Molecular FormulaC8H12N2OS
Molecular Weight184.26 g/mol
Exact Mass184.07
IUPAC Name2-methyl-2-(methylamino)-1-(1,2-thiazol-5-yl)propan-1-one
SMILESCNC(C)(C)C(=O)c1ccns1
InChIInChI=1S/C8H12N2OS/c1-8(2,9-3)7(11)6-4-5-10-12-6/h4-5,9H,1-3H3
InChIKeyMPHZCOIUHBWYHQ-UHFFFAOYSA-N
XLogP1.32
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(methylamino)-1-(1,2-thiazol-5-yl)propan-1-one?
The IUPAC name of 2-methyl-2-(methylamino)-1-(1,2-thiazol-5-yl)propan-1-one (CID 130942696) is 2-methyl-2-(methylamino)-1-(1,2-thiazol-5-yl)propan-1-one.
What is the SMILES notation for 2-methyl-2-(methylamino)-1-(1,2-thiazol-5-yl)propan-1-one?
The canonical SMILES for 2-methyl-2-(methylamino)-1-(1,2-thiazol-5-yl)propan-1-one is CNC(C)(C)C(=O)c1ccns1.
What is the InChIKey of 2-methyl-2-(methylamino)-1-(1,2-thiazol-5-yl)propan-1-one?
The InChIKey is MPHZCOIUHBWYHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2OS/c1-8(2,9-3)7(11)6-4-5-10-12-6/h4-5,9H,1-3H3.
What are the key properties of 2-methyl-2-(methylamino)-1-(1,2-thiazol-5-yl)propan-1-one?
2-methyl-2-(methylamino)-1-(1,2-thiazol-5-yl)propan-1-one has a molecular weight of 184.26 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(methylamino)-1-(1,2-thiazol-5-yl)propan-1-one is sourced from PubChem (CID 130942696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).