2-[ethyl(2-methoxyethyl)amino]-6,7-dihydro-5H-1,3-benzothiazol-4-one

C12H18N2O2S — CID 64976272

IUPAC2-[ethyl(2-methoxyethyl)amino]-6,7-dihydro-5H-1,3-benzothiazol-4-one
SMILESCCN(CCOC)c1nc2c(s1)CCCC2=O
InChIInChI=1S/C12H18N2O2S/c1-3-14(7-8-16-2)12-13-11-9(15)5-4-6-10(11)17-12/h3-8H2,1-2H3
InChIKeyNOHDNIUBXAMSQH-UHFFFAOYSA-N
MW254.35 g/mol
LogP2.13
Rot. Bonds5

About 2-[ethyl(2-methoxyethyl)amino]-6,7-dihydro-5H-1,3-benzothiazol-4-one

2-[ethyl(2-methoxyethyl)amino]-6,7-dihydro-5H-1,3-benzothiazol-4-one (PubChem CID 64976272) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is 2-[ethyl(2-methoxyethyl)amino]-6,7-dihydro-5H-1,3-benzothiazol-4-one.

Molecular Properties

Compound Name2-[ethyl(2-methoxyethyl)amino]-6,7-dihydro-5H-1,3-benzothiazol-4-one
PubChem CID64976272
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name2-[ethyl(2-methoxyethyl)amino]-6,7-dihydro-5H-1,3-benzothiazol-4-one
SMILESCCN(CCOC)c1nc2c(s1)CCCC2=O
InChIInChI=1S/C12H18N2O2S/c1-3-14(7-8-16-2)12-13-11-9(15)5-4-6-10(11)17-12/h3-8H2,1-2H3
InChIKeyNOHDNIUBXAMSQH-UHFFFAOYSA-N
XLogP2.13
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(2-methoxyethyl)amino]-6,7-dihydro-5H-1,3-benzothiazol-4-one?
The IUPAC name of 2-[ethyl(2-methoxyethyl)amino]-6,7-dihydro-5H-1,3-benzothiazol-4-one (CID 64976272) is 2-[ethyl(2-methoxyethyl)amino]-6,7-dihydro-5H-1,3-benzothiazol-4-one.
What is the SMILES notation for 2-[ethyl(2-methoxyethyl)amino]-6,7-dihydro-5H-1,3-benzothiazol-4-one?
The canonical SMILES for 2-[ethyl(2-methoxyethyl)amino]-6,7-dihydro-5H-1,3-benzothiazol-4-one is CCN(CCOC)c1nc2c(s1)CCCC2=O.
What is the InChIKey of 2-[ethyl(2-methoxyethyl)amino]-6,7-dihydro-5H-1,3-benzothiazol-4-one?
The InChIKey is NOHDNIUBXAMSQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-3-14(7-8-16-2)12-13-11-9(15)5-4-6-10(11)17-12/h3-8H2,1-2H3.
What are the key properties of 2-[ethyl(2-methoxyethyl)amino]-6,7-dihydro-5H-1,3-benzothiazol-4-one?
2-[ethyl(2-methoxyethyl)amino]-6,7-dihydro-5H-1,3-benzothiazol-4-one has a molecular weight of 254.35 g/mol, XLogP of 2.13, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(2-methoxyethyl)amino]-6,7-dihydro-5H-1,3-benzothiazol-4-one is sourced from PubChem (CID 64976272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).