4-(4-chlorophenyl)-4-oxo-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]butanamide

C22H16ClN3O2S — CID 121024336

IUPAC4-(4-chlorophenyl)-4-oxo-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]butanamide
SMILESO=C(CCC(=O)c1ccc(Cl)cc1)Nc1ccc(-c2nc3cccnc3s2)cc1
InChIInChI=1S/C22H16ClN3O2S/c23-16-7-3-14(4-8-16)19(27)11-12-20(28)25-17-9-5-15(6-10-17)21-26-18-2-1-13-24-22(18)29-21/h1-10,13H,11-12H2,(H,25,28)
InChIKeyFFJBRGSYMYGUKC-UHFFFAOYSA-N
MW421.91 g/mol
LogP5.61
Rot. Bonds6

About 4-(4-chlorophenyl)-4-oxo-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]butanamide

4-(4-chlorophenyl)-4-oxo-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]butanamide (PubChem CID 121024336) has the molecular formula C22H16ClN3O2S and a molecular weight of 421.91 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-4-oxo-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]butanamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-4-oxo-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]butanamide
PubChem CID121024336
Molecular FormulaC22H16ClN3O2S
Molecular Weight421.91 g/mol
Exact Mass421.07
IUPAC Name4-(4-chlorophenyl)-4-oxo-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]butanamide
SMILESO=C(CCC(=O)c1ccc(Cl)cc1)Nc1ccc(-c2nc3cccnc3s2)cc1
InChIInChI=1S/C22H16ClN3O2S/c23-16-7-3-14(4-8-16)19(27)11-12-20(28)25-17-9-5-15(6-10-17)21-26-18-2-1-13-24-22(18)29-21/h1-10,13H,11-12H2,(H,25,28)
InChIKeyFFJBRGSYMYGUKC-UHFFFAOYSA-N
XLogP5.61
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.91
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dichloro-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide
CID 121024338
N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide
CID 121024375
2-phenoxy-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide
CID 3397110
2-pyridin-3-yloxy-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide
CID 121024419
2-(3-methylphenyl)-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide
CID 7141315
4-(4-chlorophenyl)-4-oxo-N-quinolin-3-ylbutanamide
CID 32837503
2-(benzimidazol-1-yl)-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide
CID 121024411
(E)-3-(2-chlorophenyl)-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]prop-2-enamide
CID 121024334
5-bromo-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-3-carboxamide
CID 121024443
4-(4-chlorophenyl)-N-(4-fluorophenyl)-4-oxobutanamide
CID 42029067
2,4-dimethyl-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-1,3-thiazole-5-carboxamide
CID 121024374
1-(4-chlorophenyl)-4-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]butane-1,4-dione
CID 56579280

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-4-oxo-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]butanamide?
The IUPAC name of 4-(4-chlorophenyl)-4-oxo-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]butanamide (CID 121024336) is 4-(4-chlorophenyl)-4-oxo-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]butanamide.
What is the SMILES notation for 4-(4-chlorophenyl)-4-oxo-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]butanamide?
The canonical SMILES for 4-(4-chlorophenyl)-4-oxo-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]butanamide is O=C(CCC(=O)c1ccc(Cl)cc1)Nc1ccc(-c2nc3cccnc3s2)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-4-oxo-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]butanamide?
The InChIKey is FFJBRGSYMYGUKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClN3O2S/c23-16-7-3-14(4-8-16)19(27)11-12-20(28)25-17-9-5-15(6-10-17)21-26-18-2-1-13-24-22(18)29-21/h1-10,13H,11-12H2,(H,25,28).
What are the key properties of 4-(4-chlorophenyl)-4-oxo-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]butanamide?
4-(4-chlorophenyl)-4-oxo-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]butanamide has a molecular weight of 421.91 g/mol, XLogP of 5.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-4-oxo-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]butanamide is sourced from PubChem (CID 121024336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).