1-[(4S)-2-[6-(dimethylamino)-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethanone

C14H15N3OS2 — CID 59805154

IUPAC1-[(4S)-2-[6-(dimethylamino)-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethanone
SMILESCC(=O)[C@H]1CSC(c2nc3ccc(N(C)C)cc3s2)=N1
InChIInChI=1S/C14H15N3OS2/c1-8(18)11-7-19-13(16-11)14-15-10-5-4-9(17(2)3)6-12(10)20-14/h4-6,11H,7H2,1-3H3/t11-/m1/s1
InChIKeyOVEHBLIOXWOYFK-LLVKDONJSA-N
MW305.43 g/mol
LogP2.81
Rot. Bonds3

About 1-[(4S)-2-[6-(dimethylamino)-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethanone

1-[(4S)-2-[6-(dimethylamino)-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethanone (PubChem CID 59805154) has the molecular formula C14H15N3OS2 and a molecular weight of 305.43 g/mol. Its IUPAC name is 1-[(4S)-2-[6-(dimethylamino)-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[(4S)-2-[6-(dimethylamino)-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethanone
PubChem CID59805154
Molecular FormulaC14H15N3OS2
Molecular Weight305.43 g/mol
Exact Mass305.07
IUPAC Name1-[(4S)-2-[6-(dimethylamino)-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethanone
SMILESCC(=O)[C@H]1CSC(c2nc3ccc(N(C)C)cc3s2)=N1
InChIInChI=1S/C14H15N3OS2/c1-8(18)11-7-19-13(16-11)14-15-10-5-4-9(17(2)3)6-12(10)20-14/h4-6,11H,7H2,1-3H3/t11-/m1/s1
InChIKeyOVEHBLIOXWOYFK-LLVKDONJSA-N
XLogP2.81
TPSA45.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(4S)-2-[6-(dimethylamino)-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethanone?
The IUPAC name of 1-[(4S)-2-[6-(dimethylamino)-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethanone (CID 59805154) is 1-[(4S)-2-[6-(dimethylamino)-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethanone.
What is the SMILES notation for 1-[(4S)-2-[6-(dimethylamino)-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethanone?
The canonical SMILES for 1-[(4S)-2-[6-(dimethylamino)-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethanone is CC(=O)[C@H]1CSC(c2nc3ccc(N(C)C)cc3s2)=N1.
What is the InChIKey of 1-[(4S)-2-[6-(dimethylamino)-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethanone?
The InChIKey is OVEHBLIOXWOYFK-LLVKDONJSA-N. The full InChI is InChI=1S/C14H15N3OS2/c1-8(18)11-7-19-13(16-11)14-15-10-5-4-9(17(2)3)6-12(10)20-14/h4-6,11H,7H2,1-3H3/t11-/m1/s1.
What are the key properties of 1-[(4S)-2-[6-(dimethylamino)-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethanone?
1-[(4S)-2-[6-(dimethylamino)-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethanone has a molecular weight of 305.43 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4S)-2-[6-(dimethylamino)-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethanone is sourced from PubChem (CID 59805154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).