N-[6-(6-phenoxy-2-pyridinyl)-1,3-benzothiazol-2-yl]acetamide

C20H15N3O2S — CID 143757565

IUPACN-[6-(6-phenoxy-2-pyridinyl)-1,3-benzothiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc2ccc(-c3cccc(Oc4ccccc4)n3)cc2s1
InChIInChI=1S/C20H15N3O2S/c1-13(24)21-20-23-17-11-10-14(12-18(17)26-20)16-8-5-9-19(22-16)25-15-6-3-2-4-7-15/h2-12H,1H3,(H,21,23,24)
InChIKeyKSTMJNMSLGNXRX-UHFFFAOYSA-N
MW361.43 g/mol
LogP5.11
Rot. Bonds4

About N-[6-(6-phenoxy-2-pyridinyl)-1,3-benzothiazol-2-yl]acetamide

N-[6-(6-phenoxy-2-pyridinyl)-1,3-benzothiazol-2-yl]acetamide (PubChem CID 143757565) has the molecular formula C20H15N3O2S and a molecular weight of 361.43 g/mol. Its IUPAC name is N-[6-(6-phenoxy-2-pyridinyl)-1,3-benzothiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[6-(6-phenoxy-2-pyridinyl)-1,3-benzothiazol-2-yl]acetamide
PubChem CID143757565
Molecular FormulaC20H15N3O2S
Molecular Weight361.43 g/mol
Exact Mass361.09
IUPAC NameN-[6-(6-phenoxy-2-pyridinyl)-1,3-benzothiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc2ccc(-c3cccc(Oc4ccccc4)n3)cc2s1
InChIInChI=1S/C20H15N3O2S/c1-13(24)21-20-23-17-11-10-14(12-18(17)26-20)16-8-5-9-19(22-16)25-15-6-3-2-4-7-15/h2-12H,1H3,(H,21,23,24)
InChIKeyKSTMJNMSLGNXRX-UHFFFAOYSA-N
XLogP5.11
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.43
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[6-(4-fluoro-3-hydroxyphenoxy)-2-pyridinyl]-1,3-benzothiazol-2-yl]acetamide
CID 166636586
4-acetamido-N-(6-phenoxy-1,3-benzothiazol-2-yl)benzamide
CID 8749066
N-[6-(6-chloropyrazin-2-yl)-1,3-benzothiazol-2-yl]acetamide
CID 51354316
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(3-phenoxyphenoxy)acetamide
CID 2347857
N-[6-(6-chloro-2-methoxypyrimidin-4-yl)-1,3-benzothiazol-2-yl]acetamide
CID 86240110
3-phenoxy-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)benzamide
CID 41235422
N-(6-acetamido-1,3-benzothiazol-2-yl)-2-phenoxybenzamide
CID 4063508
N-[6-[2-(1-phenylpropan-2-ylamino)pyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide
CID 91265039
2,5-dimethyl-N-(6-phenoxy-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide
CID 71890744
N-(6-phenoxy-1,3-benzothiazol-2-yl)cyclopentanecarboxamide
CID 7948425
N-(6-phenoxy-1,3-benzothiazol-2-yl)pyridine-4-carboxamide
CID 2090733
N-[6-[2-[(4-methoxyphenyl)methoxy]pyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide
CID 25182867

Frequently Asked Questions

What is the IUPAC name of N-[6-(6-phenoxy-2-pyridinyl)-1,3-benzothiazol-2-yl]acetamide?
The IUPAC name of N-[6-(6-phenoxy-2-pyridinyl)-1,3-benzothiazol-2-yl]acetamide (CID 143757565) is N-[6-(6-phenoxy-2-pyridinyl)-1,3-benzothiazol-2-yl]acetamide.
What is the SMILES notation for N-[6-(6-phenoxy-2-pyridinyl)-1,3-benzothiazol-2-yl]acetamide?
The canonical SMILES for N-[6-(6-phenoxy-2-pyridinyl)-1,3-benzothiazol-2-yl]acetamide is CC(=O)Nc1nc2ccc(-c3cccc(Oc4ccccc4)n3)cc2s1.
What is the InChIKey of N-[6-(6-phenoxy-2-pyridinyl)-1,3-benzothiazol-2-yl]acetamide?
The InChIKey is KSTMJNMSLGNXRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O2S/c1-13(24)21-20-23-17-11-10-14(12-18(17)26-20)16-8-5-9-19(22-16)25-15-6-3-2-4-7-15/h2-12H,1H3,(H,21,23,24).
What are the key properties of N-[6-(6-phenoxy-2-pyridinyl)-1,3-benzothiazol-2-yl]acetamide?
N-[6-(6-phenoxy-2-pyridinyl)-1,3-benzothiazol-2-yl]acetamide has a molecular weight of 361.43 g/mol, XLogP of 5.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(6-phenoxy-2-pyridinyl)-1,3-benzothiazol-2-yl]acetamide is sourced from PubChem (CID 143757565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).