1-[2-(dimethylamino)-1,3-thiazol-5-yl]-2-methylpropan-1-one

C9H14N2OS — CID 83880350

IUPAC1-[2-(dimethylamino)-1,3-thiazol-5-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)c1cnc(N(C)C)s1
InChIInChI=1S/C9H14N2OS/c1-6(2)8(12)7-5-10-9(13-7)11(3)4/h5-6H,1-4H3
InChIKeyJCEJVDPUGXWKCX-UHFFFAOYSA-N
MW198.29 g/mol
LogP2.05
Rot. Bonds3

About 1-[2-(dimethylamino)-1,3-thiazol-5-yl]-2-methylpropan-1-one

1-[2-(dimethylamino)-1,3-thiazol-5-yl]-2-methylpropan-1-one (PubChem CID 83880350) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is 1-[2-(dimethylamino)-1,3-thiazol-5-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[2-(dimethylamino)-1,3-thiazol-5-yl]-2-methylpropan-1-one
PubChem CID83880350
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Name1-[2-(dimethylamino)-1,3-thiazol-5-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)c1cnc(N(C)C)s1
InChIInChI=1S/C9H14N2OS/c1-6(2)8(12)7-5-10-9(13-7)11(3)4/h5-6H,1-4H3
InChIKeyJCEJVDPUGXWKCX-UHFFFAOYSA-N
XLogP2.05
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)-1,3-thiazol-5-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[2-(dimethylamino)-1,3-thiazol-5-yl]-2-methylpropan-1-one (CID 83880350) is 1-[2-(dimethylamino)-1,3-thiazol-5-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[2-(dimethylamino)-1,3-thiazol-5-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[2-(dimethylamino)-1,3-thiazol-5-yl]-2-methylpropan-1-one is CC(C)C(=O)c1cnc(N(C)C)s1.
What is the InChIKey of 1-[2-(dimethylamino)-1,3-thiazol-5-yl]-2-methylpropan-1-one?
The InChIKey is JCEJVDPUGXWKCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c1-6(2)8(12)7-5-10-9(13-7)11(3)4/h5-6H,1-4H3.
What are the key properties of 1-[2-(dimethylamino)-1,3-thiazol-5-yl]-2-methylpropan-1-one?
1-[2-(dimethylamino)-1,3-thiazol-5-yl]-2-methylpropan-1-one has a molecular weight of 198.29 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)-1,3-thiazol-5-yl]-2-methylpropan-1-one is sourced from PubChem (CID 83880350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).