2-(4-cyclopropylsulfonylphenyl)-N-([1,3]thiazolo[5,4-b]pyridin-2-yl)-2-(1H-1,2,4-triazol-5-ylmethoxyimino)acetamide

C20H17N7O4S2 — CID 76631258

IUPAC2-(4-cyclopropylsulfonylphenyl)-N-([1,3]thiazolo[5,4-b]pyridin-2-yl)-2-(1H-1,2,4-triazol-5-ylmethoxyimino)acetamide
SMILESO=C(Nc1nc2cccnc2s1)C(=NOCc1ncn[nH]1)c1ccc(S(=O)(=O)C2CC2)cc1
InChIInChI=1S/C20H17N7O4S2/c28-18(25-20-24-15-2-1-9-21-19(15)32-20)17(27-31-10-16-22-11-23-26-16)12-3-5-13(6-4-12)33(29,30)14-7-8-14/h1-6,9,11,14H,7-8,10H2,(H,22,23,26)(H,24,25,28)
InChIKeyVAUWFXAHYUHAEX-UHFFFAOYSA-N
MW483.54 g/mol
LogP2.31
Rot. Bonds8

About 2-(4-cyclopropylsulfonylphenyl)-N-([1,3]thiazolo[5,4-b]pyridin-2-yl)-2-(1H-1,2,4-triazol-5-ylmethoxyimino)acetamide

2-(4-cyclopropylsulfonylphenyl)-N-([1,3]thiazolo[5,4-b]pyridin-2-yl)-2-(1H-1,2,4-triazol-5-ylmethoxyimino)acetamide (PubChem CID 76631258) has the molecular formula C20H17N7O4S2 and a molecular weight of 483.54 g/mol. Its IUPAC name is 2-(4-cyclopropylsulfonylphenyl)-N-([1,3]thiazolo[5,4-b]pyridin-2-yl)-2-(1H-1,2,4-triazol-5-ylmethoxyimino)acetamide.

Molecular Properties

Compound Name2-(4-cyclopropylsulfonylphenyl)-N-([1,3]thiazolo[5,4-b]pyridin-2-yl)-2-(1H-1,2,4-triazol-5-ylmethoxyimino)acetamide
PubChem CID76631258
Molecular FormulaC20H17N7O4S2
Molecular Weight483.54 g/mol
Exact Mass483.08
IUPAC Name2-(4-cyclopropylsulfonylphenyl)-N-([1,3]thiazolo[5,4-b]pyridin-2-yl)-2-(1H-1,2,4-triazol-5-ylmethoxyimino)acetamide
SMILESO=C(Nc1nc2cccnc2s1)C(=NOCc1ncn[nH]1)c1ccc(S(=O)(=O)C2CC2)cc1
InChIInChI=1S/C20H17N7O4S2/c28-18(25-20-24-15-2-1-9-21-19(15)32-20)17(27-31-10-16-22-11-23-26-16)12-3-5-13(6-4-12)33(29,30)14-7-8-14/h1-6,9,11,14H,7-8,10H2,(H,22,23,26)(H,24,25,28)
InChIKeyVAUWFXAHYUHAEX-UHFFFAOYSA-N
XLogP2.31
TPSA152.18 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.54
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-cyclopropylsulfonylphenyl)-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-2-(1H-pyrazol-5-ylmethoxyimino)acetamide
CID 90903845
2-(4-cyclopropylsulfonylphenyl)-N-[5-[2-(dimethylamino)ethylamino]-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-(pyrimidin-2-ylmethoxyimino)acetamide
CID 76630653
2-(4-cyclopropylsulfonylphenyl)-N-[5-(1-methylazetidin-3-yl)oxy-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-(pyrimidin-2-ylmethoxyimino)acetamide
CID 76630602
2-[4-(3-methoxypropylsulfonyl)phenyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-2-(1H-1,2,4-triazol-5-ylmethoxyimino)acetamide
CID 76630205
N-[5-[[(3S)-4-acetyl-3-methylpiperazin-1-yl]methyl]-1,3-thiazol-2-yl]-2-(4-cyclopropylsulfonylphenyl)-2-(1H-1,2,4-triazol-5-ylmethoxyimino)acetamide
CID 91002265
N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-2-[4-[(3S)-oxolan-3-yl]sulfonylphenyl]-2-(1,3-thiazol-2-ylmethoxyimino)acetamide
CID 91344518
2-(4-cyclopropylsulfonylphenyl)-2-(pyridin-3-ylmethoxyimino)-N-(1,3-thiazol-2-yl)acetamide
CID 76630210
N-[5-[3-(dimethylamino)propoxy]-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-[4-[(3S)-oxolan-3-yl]sulfonylphenyl]-2-(pyrimidin-2-ylmethoxyimino)acetamide
CID 91531018
N-[5-[2-hydroxyethyl(methyl)amino]-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-[4-[(3S)-oxolan-3-yl]sulfonylphenyl]-2-(1,3-thiazol-2-ylmethoxyimino)acetamide
CID 90812464
2-(4-cyclopropylsulfonylphenyl)-N-[5-[2-(dimethylamino)ethoxy]-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-(3-hydroxypropoxyimino)acetamide
CID 74384019
(2E)-2-(4-cyclopropylsulfonylphenyl)-N-[5-[2-(dimethylamino)ethoxy]-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-(3-hydroxypropoxyimino)acetamide
CID 24999981
2-(4-cyclopropylsulfonylphenyl)-N-[5-(dimethylamino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-[(2R)-1-hydroxypropan-2-yl]oxyiminoacetamide
CID 91458470

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropylsulfonylphenyl)-N-([1,3]thiazolo[5,4-b]pyridin-2-yl)-2-(1H-1,2,4-triazol-5-ylmethoxyimino)acetamide?
The IUPAC name of 2-(4-cyclopropylsulfonylphenyl)-N-([1,3]thiazolo[5,4-b]pyridin-2-yl)-2-(1H-1,2,4-triazol-5-ylmethoxyimino)acetamide (CID 76631258) is 2-(4-cyclopropylsulfonylphenyl)-N-([1,3]thiazolo[5,4-b]pyridin-2-yl)-2-(1H-1,2,4-triazol-5-ylmethoxyimino)acetamide.
What is the SMILES notation for 2-(4-cyclopropylsulfonylphenyl)-N-([1,3]thiazolo[5,4-b]pyridin-2-yl)-2-(1H-1,2,4-triazol-5-ylmethoxyimino)acetamide?
The canonical SMILES for 2-(4-cyclopropylsulfonylphenyl)-N-([1,3]thiazolo[5,4-b]pyridin-2-yl)-2-(1H-1,2,4-triazol-5-ylmethoxyimino)acetamide is O=C(Nc1nc2cccnc2s1)C(=NOCc1ncn[nH]1)c1ccc(S(=O)(=O)C2CC2)cc1.
What is the InChIKey of 2-(4-cyclopropylsulfonylphenyl)-N-([1,3]thiazolo[5,4-b]pyridin-2-yl)-2-(1H-1,2,4-triazol-5-ylmethoxyimino)acetamide?
The InChIKey is VAUWFXAHYUHAEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N7O4S2/c28-18(25-20-24-15-2-1-9-21-19(15)32-20)17(27-31-10-16-22-11-23-26-16)12-3-5-13(6-4-12)33(29,30)14-7-8-14/h1-6,9,11,14H,7-8,10H2,(H,22,23,26)(H,24,25,28).
What are the key properties of 2-(4-cyclopropylsulfonylphenyl)-N-([1,3]thiazolo[5,4-b]pyridin-2-yl)-2-(1H-1,2,4-triazol-5-ylmethoxyimino)acetamide?
2-(4-cyclopropylsulfonylphenyl)-N-([1,3]thiazolo[5,4-b]pyridin-2-yl)-2-(1H-1,2,4-triazol-5-ylmethoxyimino)acetamide has a molecular weight of 483.54 g/mol, XLogP of 2.31, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropylsulfonylphenyl)-N-([1,3]thiazolo[5,4-b]pyridin-2-yl)-2-(1H-1,2,4-triazol-5-ylmethoxyimino)acetamide is sourced from PubChem (CID 76631258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).