2-(benzotriazol-1-yl)-N-[(Z)-[3-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]amino]acetamide

C17H13ClN6O2S — CID 10408721

IUPAC2-(benzotriazol-1-yl)-N-[(Z)-[3-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]amino]acetamide
SMILESO=C(Cn1nnc2ccccc21)N/N=C1\SCC(=O)N1c1ccc(Cl)cc1
InChIInChI=1S/C17H13ClN6O2S/c18-11-5-7-12(8-6-11)24-16(26)10-27-17(24)21-20-15(25)9-23-14-4-2-1-3-13(14)19-22-23/h1-8H,9-10H2,(H,20,25)/b21-17-
InChIKeyPSESVECKEMQRBJ-FXBPSFAMSA-N
MW400.85 g/mol
LogP2.25
Rot. Bonds4

About 2-(benzotriazol-1-yl)-N-[(Z)-[3-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]amino]acetamide

2-(benzotriazol-1-yl)-N-[(Z)-[3-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]amino]acetamide (PubChem CID 10408721) has the molecular formula C17H13ClN6O2S and a molecular weight of 400.85 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)-N-[(Z)-[3-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]amino]acetamide.

Molecular Properties

Compound Name2-(benzotriazol-1-yl)-N-[(Z)-[3-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]amino]acetamide
PubChem CID10408721
Molecular FormulaC17H13ClN6O2S
Molecular Weight400.85 g/mol
Exact Mass400.05
IUPAC Name2-(benzotriazol-1-yl)-N-[(Z)-[3-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]amino]acetamide
SMILESO=C(Cn1nnc2ccccc21)N/N=C1\SCC(=O)N1c1ccc(Cl)cc1
InChIInChI=1S/C17H13ClN6O2S/c18-11-5-7-12(8-6-11)24-16(26)10-27-17(24)21-20-15(25)9-23-14-4-2-1-3-13(14)19-22-23/h1-8H,9-10H2,(H,20,25)/b21-17-
InChIKeyPSESVECKEMQRBJ-FXBPSFAMSA-N
XLogP2.25
TPSA92.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.85
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-(benzotriazol-1-yl)-N-[(4-chlorophenyl)methylideneamino]acetamide
CID 689343
2-(benzotriazol-1-yl)-N-[(Z)-1-(2-chlorophenyl)ethylideneamino]acetamide
CID 6050680
1-[[2-(benzotriazol-1-yl)acetyl]amino]-3-(4-chlorophenyl)thiourea
CID 990282
2-(benzotriazol-1-yl)-N-[(Z)-1-(5-chlorothiophen-2-yl)ethylideneamino]acetamide
CID 6165268
4-chloro-N-[3-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]benzamide
CID 1382324
2-(benzotriazol-1-yl)-N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]acetamide
CID 5412735
2-(benzotriazol-1-yl)-N-[(Z)-1-phenylpropylideneamino]acetamide
CID 6523910
2-(benzotriazol-1-yl)-N-[(Z)-1-(2,5-dimethylthiophen-3-yl)ethylideneamino]acetamide
CID 8975909
2-(benzotriazol-1-yl)-N-(pyridin-4-ylmethylideneamino)acetamide
CID 4004517
methyl (3S)-3-[[2-(benzotriazol-1-yl)acetyl]amino]-3-(4-chlorophenyl)propanoate
CID 51532512
2-(benzotriazol-1-yl)-N-(5-chloro-2-piperidin-1-ylphenyl)acetamide
CID 134013479
N-[4-(azepan-1-yl)phenyl]-2-(benzotriazol-1-yl)acetamide
CID 17421387

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yl)-N-[(Z)-[3-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]amino]acetamide?
The IUPAC name of 2-(benzotriazol-1-yl)-N-[(Z)-[3-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]amino]acetamide (CID 10408721) is 2-(benzotriazol-1-yl)-N-[(Z)-[3-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]amino]acetamide.
What is the SMILES notation for 2-(benzotriazol-1-yl)-N-[(Z)-[3-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]amino]acetamide?
The canonical SMILES for 2-(benzotriazol-1-yl)-N-[(Z)-[3-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]amino]acetamide is O=C(Cn1nnc2ccccc21)N/N=C1\SCC(=O)N1c1ccc(Cl)cc1.
What is the InChIKey of 2-(benzotriazol-1-yl)-N-[(Z)-[3-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]amino]acetamide?
The InChIKey is PSESVECKEMQRBJ-FXBPSFAMSA-N. The full InChI is InChI=1S/C17H13ClN6O2S/c18-11-5-7-12(8-6-11)24-16(26)10-27-17(24)21-20-15(25)9-23-14-4-2-1-3-13(14)19-22-23/h1-8H,9-10H2,(H,20,25)/b21-17-.
What are the key properties of 2-(benzotriazol-1-yl)-N-[(Z)-[3-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]amino]acetamide?
2-(benzotriazol-1-yl)-N-[(Z)-[3-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]amino]acetamide has a molecular weight of 400.85 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-1-yl)-N-[(Z)-[3-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]amino]acetamide is sourced from PubChem (CID 10408721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).