2-[butan-2-yl(2-methoxyethyl)amino]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one

C16H26N2O2S — CID 62750640

IUPAC2-[butan-2-yl(2-methoxyethyl)amino]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one
SMILESCCC(C)N(CCOC)c1nc2c(s1)C(=O)CC(C)(C)C2
InChIInChI=1S/C16H26N2O2S/c1-6-11(2)18(7-8-20-5)15-17-12-9-16(3,4)10-13(19)14(12)21-15/h11H,6-10H2,1-5H3
InChIKeyZHFWGNXWGRILJU-UHFFFAOYSA-N
MW310.46 g/mol
LogP3.55
Rot. Bonds6

About 2-[butan-2-yl(2-methoxyethyl)amino]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one

2-[butan-2-yl(2-methoxyethyl)amino]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one (PubChem CID 62750640) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is 2-[butan-2-yl(2-methoxyethyl)amino]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one.

Molecular Properties

Compound Name2-[butan-2-yl(2-methoxyethyl)amino]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one
PubChem CID62750640
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC Name2-[butan-2-yl(2-methoxyethyl)amino]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one
SMILESCCC(C)N(CCOC)c1nc2c(s1)C(=O)CC(C)(C)C2
InChIInChI=1S/C16H26N2O2S/c1-6-11(2)18(7-8-20-5)15-17-12-9-16(3,4)10-13(19)14(12)21-15/h11H,6-10H2,1-5H3
InChIKeyZHFWGNXWGRILJU-UHFFFAOYSA-N
XLogP3.55
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl(2-methoxyethyl)amino]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one?
The IUPAC name of 2-[butan-2-yl(2-methoxyethyl)amino]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one (CID 62750640) is 2-[butan-2-yl(2-methoxyethyl)amino]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one.
What is the SMILES notation for 2-[butan-2-yl(2-methoxyethyl)amino]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one?
The canonical SMILES for 2-[butan-2-yl(2-methoxyethyl)amino]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one is CCC(C)N(CCOC)c1nc2c(s1)C(=O)CC(C)(C)C2.
What is the InChIKey of 2-[butan-2-yl(2-methoxyethyl)amino]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one?
The InChIKey is ZHFWGNXWGRILJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-6-11(2)18(7-8-20-5)15-17-12-9-16(3,4)10-13(19)14(12)21-15/h11H,6-10H2,1-5H3.
What are the key properties of 2-[butan-2-yl(2-methoxyethyl)amino]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one?
2-[butan-2-yl(2-methoxyethyl)amino]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one has a molecular weight of 310.46 g/mol, XLogP of 3.55, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl(2-methoxyethyl)amino]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one is sourced from PubChem (CID 62750640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).