N-[2-[2-(3-chlorophenyl)imino-4-phenyl-1,3-thiazol-3-yl]ethyl]acetamide

C19H18ClN3OS — CID 44761837

IUPACN-[2-[2-(3-chlorophenyl)imino-4-phenyl-1,3-thiazol-3-yl]ethyl]acetamide
SMILESCC(=O)NCCn1c(-c2ccccc2)cs/c1=N\c1cccc(Cl)c1
InChIInChI=1S/C19H18ClN3OS/c1-14(24)21-10-11-23-18(15-6-3-2-4-7-15)13-25-19(23)22-17-9-5-8-16(20)12-17/h2-9,12-13H,10-11H2,1H3,(H,21,24)/b22-19-
InChIKeyLOHWNTUUFIILDX-QOCHGBHMSA-N
MW371.89 g/mol
LogP4.24
Rot. Bonds5

About N-[2-[2-(3-chlorophenyl)imino-4-phenyl-1,3-thiazol-3-yl]ethyl]acetamide

N-[2-[2-(3-chlorophenyl)imino-4-phenyl-1,3-thiazol-3-yl]ethyl]acetamide (PubChem CID 44761837) has the molecular formula C19H18ClN3OS and a molecular weight of 371.89 g/mol. Its IUPAC name is N-[2-[2-(3-chlorophenyl)imino-4-phenyl-1,3-thiazol-3-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[2-(3-chlorophenyl)imino-4-phenyl-1,3-thiazol-3-yl]ethyl]acetamide
PubChem CID44761837
Molecular FormulaC19H18ClN3OS
Molecular Weight371.89 g/mol
Exact Mass371.09
IUPAC NameN-[2-[2-(3-chlorophenyl)imino-4-phenyl-1,3-thiazol-3-yl]ethyl]acetamide
SMILESCC(=O)NCCn1c(-c2ccccc2)cs/c1=N\c1cccc(Cl)c1
InChIInChI=1S/C19H18ClN3OS/c1-14(24)21-10-11-23-18(15-6-3-2-4-7-15)13-25-19(23)22-17-9-5-8-16(20)12-17/h2-9,12-13H,10-11H2,1H3,(H,21,24)/b22-19-
InChIKeyLOHWNTUUFIILDX-QOCHGBHMSA-N
XLogP4.24
TPSA46.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.89
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}

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Related Compounds

2-[2-(3-chlorophenyl)imino-4-(4-phenylphenyl)-1,3-thiazol-3-yl]ethanol;hydrobromide
CID 163332772
2-[2-(3-chlorophenyl)imino-4-(4-methylphenyl)-1,3-thiazol-3-yl]ethanol
CID 755123
N-[3-[4-(4-cyanophenyl)-2-phenylimino-1,3-thiazol-3-yl]propyl]acetamide
CID 146088039
3-(2-phenoxyethyl)-N,4-diphenyl-1,3-thiazol-2-imine
CID 44761853
ethane;methyl N-[3-[4-(4-bromophenyl)-2-phenylimino-1,3-thiazol-3-yl]propyl]carbamate
CID 142106126
3-ethyl-N-(3-methylphenyl)-4-phenyl-1,3-thiazol-2-imine;hydrobromide
CID 18552881
N-(3-chlorophenyl)-4-(4-morpholin-4-ylsulfonylphenyl)-3-(2-phenylethyl)-1,3-thiazol-2-imine;hydrobromide
CID 17388964
4-[(3-ethyl-4-phenyl-1,3-thiazol-2-ylidene)amino]benzoic acid
CID 23762242
tert-butyl N-[3-[4-(4-methoxyphenyl)-2-phenylimino-1,3-thiazol-3-yl]propyl]carbamate
CID 22351001
2-[4-(4-ethylphenyl)-2-phenylimino-1,3-thiazol-3-yl]ethanol
CID 4996936
4-(4-fluorophenyl)-3-pentyl-N-phenyl-1,3-thiazol-2-imine
CID 3736483
3-hexyl-N-(4-methylphenyl)-4-phenyl-1,3-thiazol-2-imine
CID 18813168

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3-chlorophenyl)imino-4-phenyl-1,3-thiazol-3-yl]ethyl]acetamide?
The IUPAC name of N-[2-[2-(3-chlorophenyl)imino-4-phenyl-1,3-thiazol-3-yl]ethyl]acetamide (CID 44761837) is N-[2-[2-(3-chlorophenyl)imino-4-phenyl-1,3-thiazol-3-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[2-(3-chlorophenyl)imino-4-phenyl-1,3-thiazol-3-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[2-(3-chlorophenyl)imino-4-phenyl-1,3-thiazol-3-yl]ethyl]acetamide is CC(=O)NCCn1c(-c2ccccc2)cs/c1=N\c1cccc(Cl)c1.
What is the InChIKey of N-[2-[2-(3-chlorophenyl)imino-4-phenyl-1,3-thiazol-3-yl]ethyl]acetamide?
The InChIKey is LOHWNTUUFIILDX-QOCHGBHMSA-N. The full InChI is InChI=1S/C19H18ClN3OS/c1-14(24)21-10-11-23-18(15-6-3-2-4-7-15)13-25-19(23)22-17-9-5-8-16(20)12-17/h2-9,12-13H,10-11H2,1H3,(H,21,24)/b22-19-.
What are the key properties of N-[2-[2-(3-chlorophenyl)imino-4-phenyl-1,3-thiazol-3-yl]ethyl]acetamide?
N-[2-[2-(3-chlorophenyl)imino-4-phenyl-1,3-thiazol-3-yl]ethyl]acetamide has a molecular weight of 371.89 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3-chlorophenyl)imino-4-phenyl-1,3-thiazol-3-yl]ethyl]acetamide is sourced from PubChem (CID 44761837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).