1-[2-[ethyl(2-methoxyethyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanone

C11H18N2O2S — CID 62750809

IUPAC1-[2-[ethyl(2-methoxyethyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanone
SMILESCCN(CCOC)c1nc(C)c(C(C)=O)s1
InChIInChI=1S/C11H18N2O2S/c1-5-13(6-7-15-4)11-12-8(2)10(16-11)9(3)14/h5-7H2,1-4H3
InChIKeyAHONZZCQGJCMRG-UHFFFAOYSA-N
MW242.34 g/mol
LogP2.13
Rot. Bonds6

About 1-[2-[ethyl(2-methoxyethyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanone

1-[2-[ethyl(2-methoxyethyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanone (PubChem CID 62750809) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is 1-[2-[ethyl(2-methoxyethyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-[ethyl(2-methoxyethyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanone
PubChem CID62750809
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Name1-[2-[ethyl(2-methoxyethyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanone
SMILESCCN(CCOC)c1nc(C)c(C(C)=O)s1
InChIInChI=1S/C11H18N2O2S/c1-5-13(6-7-15-4)11-12-8(2)10(16-11)9(3)14/h5-7H2,1-4H3
InChIKeyAHONZZCQGJCMRG-UHFFFAOYSA-N
XLogP2.13
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[ethyl(2-methoxyethyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[2-[ethyl(2-methoxyethyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanone (CID 62750809) is 1-[2-[ethyl(2-methoxyethyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[2-[ethyl(2-methoxyethyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[2-[ethyl(2-methoxyethyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanone is CCN(CCOC)c1nc(C)c(C(C)=O)s1.
What is the InChIKey of 1-[2-[ethyl(2-methoxyethyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanone?
The InChIKey is AHONZZCQGJCMRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-5-13(6-7-15-4)11-12-8(2)10(16-11)9(3)14/h5-7H2,1-4H3.
What are the key properties of 1-[2-[ethyl(2-methoxyethyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanone?
1-[2-[ethyl(2-methoxyethyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanone has a molecular weight of 242.34 g/mol, XLogP of 2.13, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[ethyl(2-methoxyethyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 62750809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).