(E)-3-(2-chlorophenyl)-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]prop-2-enamide

C21H14ClN3OS — CID 121024334

IUPAC(E)-3-(2-chlorophenyl)-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccccc1Cl)Nc1ccc(-c2nc3cccnc3s2)cc1
InChIInChI=1S/C21H14ClN3OS/c22-17-5-2-1-4-14(17)9-12-19(26)24-16-10-7-15(8-11-16)20-25-18-6-3-13-23-21(18)27-20/h1-13H,(H,24,26)/b12-9+
InChIKeySNFGCSXFLCKGPU-FMIVXFBMSA-N
MW391.88 g/mol
LogP5.66
Rot. Bonds4

About (E)-3-(2-chlorophenyl)-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]prop-2-enamide

(E)-3-(2-chlorophenyl)-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]prop-2-enamide (PubChem CID 121024334) has the molecular formula C21H14ClN3OS and a molecular weight of 391.88 g/mol. Its IUPAC name is (E)-3-(2-chlorophenyl)-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-chlorophenyl)-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]prop-2-enamide
PubChem CID121024334
Molecular FormulaC21H14ClN3OS
Molecular Weight391.88 g/mol
Exact Mass391.05
IUPAC Name(E)-3-(2-chlorophenyl)-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccccc1Cl)Nc1ccc(-c2nc3cccnc3s2)cc1
InChIInChI=1S/C21H14ClN3OS/c22-17-5-2-1-4-14(17)9-12-19(26)24-16-10-7-15(8-11-16)20-25-18-6-3-13-23-21(18)27-20/h1-13H,(H,24,26)/b12-9+
InChIKeySNFGCSXFLCKGPU-FMIVXFBMSA-N
XLogP5.66
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.88
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(2-chlorophenyl)-N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]prop-2-enamide
CID 121024942
N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide
CID 121024375
3,5-dichloro-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide
CID 121024338
2-(3-methylphenyl)-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide
CID 7141315
2-phenoxy-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide
CID 3397110
2-nitro-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide
CID 7141317
(E)-3-(2-chlorophenyl)-N-(3,4-dichlorophenyl)prop-2-enamide
CID 966048
(E)-3-(2,6-dichlorophenyl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]prop-2-enamide
CID 6048381
4-(4-chlorophenyl)-4-oxo-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]butanamide
CID 121024336
(E)-3-(2-chlorophenyl)-N-[4-[4-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]phenoxy]phenyl]prop-2-enamide
CID 6242476
2,4-dimethyl-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-1,3-thiazole-5-carboxamide
CID 121024374
2-pyridin-3-yloxy-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide
CID 121024419

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-chlorophenyl)-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]prop-2-enamide?
The IUPAC name of (E)-3-(2-chlorophenyl)-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]prop-2-enamide (CID 121024334) is (E)-3-(2-chlorophenyl)-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(2-chlorophenyl)-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]prop-2-enamide?
The canonical SMILES for (E)-3-(2-chlorophenyl)-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]prop-2-enamide is O=C(/C=C/c1ccccc1Cl)Nc1ccc(-c2nc3cccnc3s2)cc1.
What is the InChIKey of (E)-3-(2-chlorophenyl)-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]prop-2-enamide?
The InChIKey is SNFGCSXFLCKGPU-FMIVXFBMSA-N. The full InChI is InChI=1S/C21H14ClN3OS/c22-17-5-2-1-4-14(17)9-12-19(26)24-16-10-7-15(8-11-16)20-25-18-6-3-13-23-21(18)27-20/h1-13H,(H,24,26)/b12-9+.
What are the key properties of (E)-3-(2-chlorophenyl)-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]prop-2-enamide?
(E)-3-(2-chlorophenyl)-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]prop-2-enamide has a molecular weight of 391.88 g/mol, XLogP of 5.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-chlorophenyl)-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]prop-2-enamide is sourced from PubChem (CID 121024334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).