1-[2-[2-(dimethylamino)ethyl-methylamino]-1,3-thiazol-5-yl]ethanone

C10H17N3OS — CID 63727395

IUPAC1-[2-[2-(dimethylamino)ethyl-methylamino]-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1cnc(N(C)CCN(C)C)s1
InChIInChI=1S/C10H17N3OS/c1-8(14)9-7-11-10(15-9)13(4)6-5-12(2)3/h7H,5-6H2,1-4H3
InChIKeyPLOWHEVLYNQLBL-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.34
Rot. Bonds5

About 1-[2-[2-(dimethylamino)ethyl-methylamino]-1,3-thiazol-5-yl]ethanone

1-[2-[2-(dimethylamino)ethyl-methylamino]-1,3-thiazol-5-yl]ethanone (PubChem CID 63727395) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is 1-[2-[2-(dimethylamino)ethyl-methylamino]-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-[2-(dimethylamino)ethyl-methylamino]-1,3-thiazol-5-yl]ethanone
PubChem CID63727395
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name1-[2-[2-(dimethylamino)ethyl-methylamino]-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1cnc(N(C)CCN(C)C)s1
InChIInChI=1S/C10H17N3OS/c1-8(14)9-7-11-10(15-9)13(4)6-5-12(2)3/h7H,5-6H2,1-4H3
InChIKeyPLOWHEVLYNQLBL-UHFFFAOYSA-N
XLogP1.34
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(dimethylamino)ethyl-methylamino]-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[2-[2-(dimethylamino)ethyl-methylamino]-1,3-thiazol-5-yl]ethanone (CID 63727395) is 1-[2-[2-(dimethylamino)ethyl-methylamino]-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[2-[2-(dimethylamino)ethyl-methylamino]-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[2-[2-(dimethylamino)ethyl-methylamino]-1,3-thiazol-5-yl]ethanone is CC(=O)c1cnc(N(C)CCN(C)C)s1.
What is the InChIKey of 1-[2-[2-(dimethylamino)ethyl-methylamino]-1,3-thiazol-5-yl]ethanone?
The InChIKey is PLOWHEVLYNQLBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-8(14)9-7-11-10(15-9)13(4)6-5-12(2)3/h7H,5-6H2,1-4H3.
What are the key properties of 1-[2-[2-(dimethylamino)ethyl-methylamino]-1,3-thiazol-5-yl]ethanone?
1-[2-[2-(dimethylamino)ethyl-methylamino]-1,3-thiazol-5-yl]ethanone has a molecular weight of 227.33 g/mol, XLogP of 1.34, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(dimethylamino)ethyl-methylamino]-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 63727395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).