N-(5-chloro-2-phenoxyphenyl)-2-(2-imino-1,3-thiazol-3-yl)acetamide

C17H14ClN3O2S — CID 2424212

IUPACN-(5-chloro-2-phenoxyphenyl)-2-(2-imino-1,3-thiazol-3-yl)acetamide
SMILES[H]/N=c1\sccn1CC(=O)Nc1cc(Cl)ccc1Oc1ccccc1
InChIInChI=1S/C17H14ClN3O2S/c18-12-6-7-15(23-13-4-2-1-3-5-13)14(10-12)20-16(22)11-21-8-9-24-17(21)19/h1-10,19H,11H2,(H,20,22)/b19-17-
InChIKeyGKMONRSASOZVEV-ZPHPHTNESA-N
MW359.84 g/mol
LogP4.11
Rot. Bonds5

About N-(5-chloro-2-phenoxyphenyl)-2-(2-imino-1,3-thiazol-3-yl)acetamide

N-(5-chloro-2-phenoxyphenyl)-2-(2-imino-1,3-thiazol-3-yl)acetamide (PubChem CID 2424212) has the molecular formula C17H14ClN3O2S and a molecular weight of 359.84 g/mol. Its IUPAC name is N-(5-chloro-2-phenoxyphenyl)-2-(2-imino-1,3-thiazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-phenoxyphenyl)-2-(2-imino-1,3-thiazol-3-yl)acetamide
PubChem CID2424212
Molecular FormulaC17H14ClN3O2S
Molecular Weight359.84 g/mol
Exact Mass359.05
IUPAC NameN-(5-chloro-2-phenoxyphenyl)-2-(2-imino-1,3-thiazol-3-yl)acetamide
SMILES[H]/N=c1\sccn1CC(=O)Nc1cc(Cl)ccc1Oc1ccccc1
InChIInChI=1S/C17H14ClN3O2S/c18-12-6-7-15(23-13-4-2-1-3-5-13)14(10-12)20-16(22)11-21-8-9-24-17(21)19/h1-10,19H,11H2,(H,20,22)/b19-17-
InChIKeyGKMONRSASOZVEV-ZPHPHTNESA-N
XLogP4.11
TPSA67.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.84
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-phenoxyphenyl)-2-(2-imino-1,3-thiazol-3-yl)acetamide?
The IUPAC name of N-(5-chloro-2-phenoxyphenyl)-2-(2-imino-1,3-thiazol-3-yl)acetamide (CID 2424212) is N-(5-chloro-2-phenoxyphenyl)-2-(2-imino-1,3-thiazol-3-yl)acetamide.
What is the SMILES notation for N-(5-chloro-2-phenoxyphenyl)-2-(2-imino-1,3-thiazol-3-yl)acetamide?
The canonical SMILES for N-(5-chloro-2-phenoxyphenyl)-2-(2-imino-1,3-thiazol-3-yl)acetamide is [H]/N=c1\sccn1CC(=O)Nc1cc(Cl)ccc1Oc1ccccc1.
What is the InChIKey of N-(5-chloro-2-phenoxyphenyl)-2-(2-imino-1,3-thiazol-3-yl)acetamide?
The InChIKey is GKMONRSASOZVEV-ZPHPHTNESA-N. The full InChI is InChI=1S/C17H14ClN3O2S/c18-12-6-7-15(23-13-4-2-1-3-5-13)14(10-12)20-16(22)11-21-8-9-24-17(21)19/h1-10,19H,11H2,(H,20,22)/b19-17-.
What are the key properties of N-(5-chloro-2-phenoxyphenyl)-2-(2-imino-1,3-thiazol-3-yl)acetamide?
N-(5-chloro-2-phenoxyphenyl)-2-(2-imino-1,3-thiazol-3-yl)acetamide has a molecular weight of 359.84 g/mol, XLogP of 4.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-phenoxyphenyl)-2-(2-imino-1,3-thiazol-3-yl)acetamide is sourced from PubChem (CID 2424212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).