4-(4-ethoxy-3-nitrophenyl)-2-[(4-methoxyphenyl)methyl]-1,3-thiazole

C19H18N2O4S — CID 84567435

IUPAC4-(4-ethoxy-3-nitrophenyl)-2-[(4-methoxyphenyl)methyl]-1,3-thiazole
SMILESCCOc1ccc(-c2csc(Cc3ccc(OC)cc3)n2)cc1[N+](=O)[O-]
InChIInChI=1S/C19H18N2O4S/c1-3-25-18-9-6-14(11-17(18)21(22)23)16-12-26-19(20-16)10-13-4-7-15(24-2)8-5-13/h4-9,11-12H,3,10H2,1-2H3
InChIKeySHYMPFYUXXYVCO-UHFFFAOYSA-N
MW370.43 g/mol
LogP4.72
Rot. Bonds7

About 4-(4-ethoxy-3-nitrophenyl)-2-[(4-methoxyphenyl)methyl]-1,3-thiazole

4-(4-ethoxy-3-nitrophenyl)-2-[(4-methoxyphenyl)methyl]-1,3-thiazole (PubChem CID 84567435) has the molecular formula C19H18N2O4S and a molecular weight of 370.43 g/mol. Its IUPAC name is 4-(4-ethoxy-3-nitrophenyl)-2-[(4-methoxyphenyl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-(4-ethoxy-3-nitrophenyl)-2-[(4-methoxyphenyl)methyl]-1,3-thiazole
PubChem CID84567435
Molecular FormulaC19H18N2O4S
Molecular Weight370.43 g/mol
Exact Mass370.10
IUPAC Name4-(4-ethoxy-3-nitrophenyl)-2-[(4-methoxyphenyl)methyl]-1,3-thiazole
SMILESCCOc1ccc(-c2csc(Cc3ccc(OC)cc3)n2)cc1[N+](=O)[O-]
InChIInChI=1S/C19H18N2O4S/c1-3-25-18-9-6-14(11-17(18)21(22)23)16-12-26-19(20-16)10-13-4-7-15(24-2)8-5-13/h4-9,11-12H,3,10H2,1-2H3
InChIKeySHYMPFYUXXYVCO-UHFFFAOYSA-N
XLogP4.72
TPSA74.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(4-ethoxy-3-nitrophenyl)-1,3-thiazol-2-yl]acetic acid
CID 4036294
1-[4-(4-ethoxy-3-nitrophenyl)-1,3-thiazol-2-yl]ethanamine
CID 4558716
2-[(4-methoxyphenyl)methyl]-4-(4-methoxy-3-propan-2-ylphenyl)-1,3-thiazole
CID 84567465
4-(3-chlorophenyl)-2-[(4-methoxyphenyl)methyl]-1,3-thiazole
CID 84567479
4-[2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]-N,N-dimethylaniline
CID 84567447
6-[2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]-3H-1,3-benzoxazol-2-one
CID 84567419
1-[4-(4-methoxy-3-nitrophenyl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 3661554
N-[4-[2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]phenyl]propanamide
CID 84567446
2-[4-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-2-yl]ethanamine
CID 3468254
2-(4-fluorophenyl)-4-[(4-methoxy-2-nitrophenoxy)methyl]-1,3-thiazole
CID 8537624
1-(4-ethoxy-3-nitrophenyl)-2,3,4-trimethoxybenzene
CID 90953936
4-[2-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazol-4-yl]benzenesulfonamide
CID 60615860

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxy-3-nitrophenyl)-2-[(4-methoxyphenyl)methyl]-1,3-thiazole?
The IUPAC name of 4-(4-ethoxy-3-nitrophenyl)-2-[(4-methoxyphenyl)methyl]-1,3-thiazole (CID 84567435) is 4-(4-ethoxy-3-nitrophenyl)-2-[(4-methoxyphenyl)methyl]-1,3-thiazole.
What is the SMILES notation for 4-(4-ethoxy-3-nitrophenyl)-2-[(4-methoxyphenyl)methyl]-1,3-thiazole?
The canonical SMILES for 4-(4-ethoxy-3-nitrophenyl)-2-[(4-methoxyphenyl)methyl]-1,3-thiazole is CCOc1ccc(-c2csc(Cc3ccc(OC)cc3)n2)cc1[N+](=O)[O-].
What is the InChIKey of 4-(4-ethoxy-3-nitrophenyl)-2-[(4-methoxyphenyl)methyl]-1,3-thiazole?
The InChIKey is SHYMPFYUXXYVCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4S/c1-3-25-18-9-6-14(11-17(18)21(22)23)16-12-26-19(20-16)10-13-4-7-15(24-2)8-5-13/h4-9,11-12H,3,10H2,1-2H3.
What are the key properties of 4-(4-ethoxy-3-nitrophenyl)-2-[(4-methoxyphenyl)methyl]-1,3-thiazole?
4-(4-ethoxy-3-nitrophenyl)-2-[(4-methoxyphenyl)methyl]-1,3-thiazole has a molecular weight of 370.43 g/mol, XLogP of 4.72, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxy-3-nitrophenyl)-2-[(4-methoxyphenyl)methyl]-1,3-thiazole is sourced from PubChem (CID 84567435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).