N-[4-[3-[2-(oxolan-3-ylmethoxy)ethyl]-2-phenylimino-1,3-thiazol-4-yl]phenyl]acetamide

C24H27N3O3S — CID 146087542

IUPACN-[4-[3-[2-(oxolan-3-ylmethoxy)ethyl]-2-phenylimino-1,3-thiazol-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2cs/c(=N\c3ccccc3)n2CCOCC2CCOC2)cc1
InChIInChI=1S/C24H27N3O3S/c1-18(28)25-22-9-7-20(8-10-22)23-17-31-24(26-21-5-3-2-4-6-21)27(23)12-14-30-16-19-11-13-29-15-19/h2-10,17,19H,11-16H2,1H3,(H,25,28)/b26-24-
InChIKeyZLEKLSSHXCHELK-LCUIJRPUSA-N
MW437.57 g/mol
LogP4.46
Rot. Bonds8

About N-[4-[3-[2-(oxolan-3-ylmethoxy)ethyl]-2-phenylimino-1,3-thiazol-4-yl]phenyl]acetamide

N-[4-[3-[2-(oxolan-3-ylmethoxy)ethyl]-2-phenylimino-1,3-thiazol-4-yl]phenyl]acetamide (PubChem CID 146087542) has the molecular formula C24H27N3O3S and a molecular weight of 437.57 g/mol. Its IUPAC name is N-[4-[3-[2-(oxolan-3-ylmethoxy)ethyl]-2-phenylimino-1,3-thiazol-4-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[3-[2-(oxolan-3-ylmethoxy)ethyl]-2-phenylimino-1,3-thiazol-4-yl]phenyl]acetamide
PubChem CID146087542
Molecular FormulaC24H27N3O3S
Molecular Weight437.57 g/mol
Exact Mass437.18
IUPAC NameN-[4-[3-[2-(oxolan-3-ylmethoxy)ethyl]-2-phenylimino-1,3-thiazol-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2cs/c(=N\c3ccccc3)n2CCOCC2CCOC2)cc1
InChIInChI=1S/C24H27N3O3S/c1-18(28)25-22-9-7-20(8-10-22)23-17-31-24(26-21-5-3-2-4-6-21)27(23)12-14-30-16-19-11-13-29-15-19/h2-10,17,19H,11-16H2,1H3,(H,25,28)/b26-24-
InChIKeyZLEKLSSHXCHELK-LCUIJRPUSA-N
XLogP4.46
TPSA64.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.57
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[[ethylamino-[3-(oxolan-3-ylmethoxy)propylamino]methylidene]amino]-N-phenylacetamide
CID 111647208
ethane;methyl N-[3-[4-(4-bromophenyl)-2-phenylimino-1,3-thiazol-3-yl]propyl]carbamate
CID 142106126
2-[4-(4-ethylphenyl)-2-phenylimino-1,3-thiazol-3-yl]ethanol
CID 4996936
1-(4-methylphenyl)-2-[3-(oxolan-3-ylmethoxy)propyl]guanidine;hydroiodide
CID 111818603
2-hydroxy-5-[3-(2-methoxyethyl)-2-phenylimino-1,3-thiazol-4-yl]benzamide
CID 16555624
N-[2-[[N'-methyl-N-[3-(oxolan-3-ylmethoxy)propyl]carbamimidoyl]amino]ethyl]benzamide
CID 111647094
tert-butyl N-[3-[4-(4-methoxyphenyl)-2-phenylimino-1,3-thiazol-3-yl]propyl]carbamate
CID 22351001
N-[4-(4-phenyldiazenylphenyl)phenyl]acetamide
CID 2749691
2-[4-(4-nitrophenyl)-2-phenylimino-1,3-thiazol-3-yl]ethanol;hydrobromide
CID 71902601
N,N-dimethyl-4-[3-(2-phenylethyl)-2-phenylimino-1,3-thiazol-4-yl]benzenesulfonamide
CID 5229362
methyl N-[4-[[[ethylamino-[3-(oxolan-3-ylmethoxy)propylamino]methylidene]amino]methyl]phenyl]carbamate
CID 111645894
N-[3-[[N'-methyl-N-[3-(oxolan-3-ylmethoxy)propyl]carbamimidoyl]amino]propyl]thiophene-2-carboxamide
CID 111647918

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[2-(oxolan-3-ylmethoxy)ethyl]-2-phenylimino-1,3-thiazol-4-yl]phenyl]acetamide?
The IUPAC name of N-[4-[3-[2-(oxolan-3-ylmethoxy)ethyl]-2-phenylimino-1,3-thiazol-4-yl]phenyl]acetamide (CID 146087542) is N-[4-[3-[2-(oxolan-3-ylmethoxy)ethyl]-2-phenylimino-1,3-thiazol-4-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[3-[2-(oxolan-3-ylmethoxy)ethyl]-2-phenylimino-1,3-thiazol-4-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[3-[2-(oxolan-3-ylmethoxy)ethyl]-2-phenylimino-1,3-thiazol-4-yl]phenyl]acetamide is CC(=O)Nc1ccc(-c2cs/c(=N\c3ccccc3)n2CCOCC2CCOC2)cc1.
What is the InChIKey of N-[4-[3-[2-(oxolan-3-ylmethoxy)ethyl]-2-phenylimino-1,3-thiazol-4-yl]phenyl]acetamide?
The InChIKey is ZLEKLSSHXCHELK-LCUIJRPUSA-N. The full InChI is InChI=1S/C24H27N3O3S/c1-18(28)25-22-9-7-20(8-10-22)23-17-31-24(26-21-5-3-2-4-6-21)27(23)12-14-30-16-19-11-13-29-15-19/h2-10,17,19H,11-16H2,1H3,(H,25,28)/b26-24-.
What are the key properties of N-[4-[3-[2-(oxolan-3-ylmethoxy)ethyl]-2-phenylimino-1,3-thiazol-4-yl]phenyl]acetamide?
N-[4-[3-[2-(oxolan-3-ylmethoxy)ethyl]-2-phenylimino-1,3-thiazol-4-yl]phenyl]acetamide has a molecular weight of 437.57 g/mol, XLogP of 4.46, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-[2-(oxolan-3-ylmethoxy)ethyl]-2-phenylimino-1,3-thiazol-4-yl]phenyl]acetamide is sourced from PubChem (CID 146087542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).