2-[4-[2-(azetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-N-(1,3-benzothiazol-6-yl)acetamide

C26H20N4O3S2 — CID 18456609

IUPAC2-[4-[2-(azetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-N-(1,3-benzothiazol-6-yl)acetamide
SMILESO=C(Cc1ccc(Oc2ccnc3cc(C(=O)N4CCC4)sc23)cc1)Nc1ccc2ncsc2c1
InChIInChI=1S/C26H20N4O3S2/c31-24(29-17-4-7-19-22(13-17)34-15-28-19)12-16-2-5-18(6-3-16)33-21-8-9-27-20-14-23(35-25(20)21)26(32)30-10-1-11-30/h2-9,13-15H,1,10-12H2,(H,29,31)
InChIKeyQVJQZIRGXNNXOT-UHFFFAOYSA-N
MW500.61 g/mol
LogP5.73
Rot. Bonds6

About 2-[4-[2-(azetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-N-(1,3-benzothiazol-6-yl)acetamide

2-[4-[2-(azetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-N-(1,3-benzothiazol-6-yl)acetamide (PubChem CID 18456609) has the molecular formula C26H20N4O3S2 and a molecular weight of 500.61 g/mol. Its IUPAC name is 2-[4-[2-(azetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-N-(1,3-benzothiazol-6-yl)acetamide.

Molecular Properties

Compound Name2-[4-[2-(azetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-N-(1,3-benzothiazol-6-yl)acetamide
PubChem CID18456609
Molecular FormulaC26H20N4O3S2
Molecular Weight500.61 g/mol
Exact Mass500.10
IUPAC Name2-[4-[2-(azetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-N-(1,3-benzothiazol-6-yl)acetamide
SMILESO=C(Cc1ccc(Oc2ccnc3cc(C(=O)N4CCC4)sc23)cc1)Nc1ccc2ncsc2c1
InChIInChI=1S/C26H20N4O3S2/c31-24(29-17-4-7-19-22(13-17)34-15-28-19)12-16-2-5-18(6-3-16)33-21-8-9-27-20-14-23(35-25(20)21)26(32)30-10-1-11-30/h2-9,13-15H,1,10-12H2,(H,29,31)
InChIKeyQVJQZIRGXNNXOT-UHFFFAOYSA-N
XLogP5.73
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.61
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-[2-(azetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-N-(6-methoxy-3-pyridinyl)acetamide
CID 18456607
azetidin-1-yl-(7-phenoxythieno[3,2-b]pyridin-2-yl)methanone
CID 91328834
2-[4-[2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-N-isoquinolin-3-ylacetamide
CID 11409880
2-[4-[2-(3-hydroxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-N-isoquinolin-3-ylacetamide
CID 18456560
2-[4-[2-(3-methoxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-N-methylacetamide
CID 18456628
N-[[3-fluoro-4-[2-(piperidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]carbamothioyl]-2-phenylacetamide;hydrochloride
CID 86604167
6-[2-(azetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-1,2-dimethyl-2,3-dihydroindole-3-carboxylic acid
CID 22143674
N-(1,3-benzothiazol-6-yl)-2-(2,4-dimethylphenyl)acetamide
CID 41085216
N,1,2-trimethyl-6-[2-(pyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide
CID 20767885
(1-carbamoylcycloprop-2-en-1-yl) 6-[2-(azetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-2-methyl-1-benzothiophene-3-carboxylate
CID 90738790
1-[7-[2-fluoro-4-[(2-phenylacetyl)carbamothioylamino]phenoxy]thieno[3,2-b]pyridine-2-carbonyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 87541943
6-[2-(azetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N-(2-morpholin-4-ylethyl)naphthalene-1-carboxamide
CID 11489216

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(azetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-N-(1,3-benzothiazol-6-yl)acetamide?
The IUPAC name of 2-[4-[2-(azetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-N-(1,3-benzothiazol-6-yl)acetamide (CID 18456609) is 2-[4-[2-(azetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-N-(1,3-benzothiazol-6-yl)acetamide.
What is the SMILES notation for 2-[4-[2-(azetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-N-(1,3-benzothiazol-6-yl)acetamide?
The canonical SMILES for 2-[4-[2-(azetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-N-(1,3-benzothiazol-6-yl)acetamide is O=C(Cc1ccc(Oc2ccnc3cc(C(=O)N4CCC4)sc23)cc1)Nc1ccc2ncsc2c1.
What is the InChIKey of 2-[4-[2-(azetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-N-(1,3-benzothiazol-6-yl)acetamide?
The InChIKey is QVJQZIRGXNNXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N4O3S2/c31-24(29-17-4-7-19-22(13-17)34-15-28-19)12-16-2-5-18(6-3-16)33-21-8-9-27-20-14-23(35-25(20)21)26(32)30-10-1-11-30/h2-9,13-15H,1,10-12H2,(H,29,31).
What are the key properties of 2-[4-[2-(azetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-N-(1,3-benzothiazol-6-yl)acetamide?
2-[4-[2-(azetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-N-(1,3-benzothiazol-6-yl)acetamide has a molecular weight of 500.61 g/mol, XLogP of 5.73, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(azetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-N-(1,3-benzothiazol-6-yl)acetamide is sourced from PubChem (CID 18456609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).