1-(dimethylamino)-1-(2-methyl-1,3-thiazol-4-yl)propan-2-one;ethane

C11H20N2OS — CID 143630580

IUPAC1-(dimethylamino)-1-(2-methyl-1,3-thiazol-4-yl)propan-2-one;ethane
SMILESCC.CC(=O)C(c1csc(C)n1)N(C)C
InChIInChI=1S/C9H14N2OS.C2H6/c1-6(12)9(11(3)4)8-5-13-7(2)10-8;1-2/h5,9H,1-4H3;1-2H3
InChIKeyRHTFLFOIBANFEP-UHFFFAOYSA-N
MW228.36 g/mol
LogP2.67
Rot. Bonds3

About 1-(dimethylamino)-1-(2-methyl-1,3-thiazol-4-yl)propan-2-one;ethane

1-(dimethylamino)-1-(2-methyl-1,3-thiazol-4-yl)propan-2-one;ethane (PubChem CID 143630580) has the molecular formula C11H20N2OS and a molecular weight of 228.36 g/mol. Its IUPAC name is 1-(dimethylamino)-1-(2-methyl-1,3-thiazol-4-yl)propan-2-one;ethane.

Molecular Properties

Compound Name1-(dimethylamino)-1-(2-methyl-1,3-thiazol-4-yl)propan-2-one;ethane
PubChem CID143630580
Molecular FormulaC11H20N2OS
Molecular Weight228.36 g/mol
Exact Mass228.13
IUPAC Name1-(dimethylamino)-1-(2-methyl-1,3-thiazol-4-yl)propan-2-one;ethane
SMILESCC.CC(=O)C(c1csc(C)n1)N(C)C
InChIInChI=1S/C9H14N2OS.C2H6/c1-6(12)9(11(3)4)8-5-13-7(2)10-8;1-2/h5,9H,1-4H3;1-2H3
InChIKeyRHTFLFOIBANFEP-UHFFFAOYSA-N
XLogP2.67
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-1-(2-methyl-1,3-thiazol-4-yl)propan-2-one;ethane?
The IUPAC name of 1-(dimethylamino)-1-(2-methyl-1,3-thiazol-4-yl)propan-2-one;ethane (CID 143630580) is 1-(dimethylamino)-1-(2-methyl-1,3-thiazol-4-yl)propan-2-one;ethane.
What is the SMILES notation for 1-(dimethylamino)-1-(2-methyl-1,3-thiazol-4-yl)propan-2-one;ethane?
The canonical SMILES for 1-(dimethylamino)-1-(2-methyl-1,3-thiazol-4-yl)propan-2-one;ethane is CC.CC(=O)C(c1csc(C)n1)N(C)C.
What is the InChIKey of 1-(dimethylamino)-1-(2-methyl-1,3-thiazol-4-yl)propan-2-one;ethane?
The InChIKey is RHTFLFOIBANFEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS.C2H6/c1-6(12)9(11(3)4)8-5-13-7(2)10-8;1-2/h5,9H,1-4H3;1-2H3.
What are the key properties of 1-(dimethylamino)-1-(2-methyl-1,3-thiazol-4-yl)propan-2-one;ethane?
1-(dimethylamino)-1-(2-methyl-1,3-thiazol-4-yl)propan-2-one;ethane has a molecular weight of 228.36 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-1-(2-methyl-1,3-thiazol-4-yl)propan-2-one;ethane is sourced from PubChem (CID 143630580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).