2-[2-(2-methoxyphenyl)imino-4-(4-nitrophenyl)-1,3-thiazol-3-yl]ethanol

C18H17N3O4S — CID 18581571

IUPAC2-[2-(2-methoxyphenyl)imino-4-(4-nitrophenyl)-1,3-thiazol-3-yl]ethanol
SMILESCOc1ccccc1/N=c1\scc(-c2ccc([N+](=O)[O-])cc2)n1CCO
InChIInChI=1S/C18H17N3O4S/c1-25-17-5-3-2-4-15(17)19-18-20(10-11-22)16(12-26-18)13-6-8-14(9-7-13)21(23)24/h2-9,12,22H,10-11H2,1H3/b19-18-
InChIKeyRYCYBAMNXPOFGP-HNENSFHCSA-N
MW371.42 g/mol
LogP3.36
Rot. Bonds6

About 2-[2-(2-methoxyphenyl)imino-4-(4-nitrophenyl)-1,3-thiazol-3-yl]ethanol

2-[2-(2-methoxyphenyl)imino-4-(4-nitrophenyl)-1,3-thiazol-3-yl]ethanol (PubChem CID 18581571) has the molecular formula C18H17N3O4S and a molecular weight of 371.42 g/mol. Its IUPAC name is 2-[2-(2-methoxyphenyl)imino-4-(4-nitrophenyl)-1,3-thiazol-3-yl]ethanol.

Molecular Properties

Compound Name2-[2-(2-methoxyphenyl)imino-4-(4-nitrophenyl)-1,3-thiazol-3-yl]ethanol
PubChem CID18581571
Molecular FormulaC18H17N3O4S
Molecular Weight371.42 g/mol
Exact Mass371.09
IUPAC Name2-[2-(2-methoxyphenyl)imino-4-(4-nitrophenyl)-1,3-thiazol-3-yl]ethanol
SMILESCOc1ccccc1/N=c1\scc(-c2ccc([N+](=O)[O-])cc2)n1CCO
InChIInChI=1S/C18H17N3O4S/c1-25-17-5-3-2-4-15(17)19-18-20(10-11-22)16(12-26-18)13-6-8-14(9-7-13)21(23)24/h2-9,12,22H,10-11H2,1H3/b19-18-
InChIKeyRYCYBAMNXPOFGP-HNENSFHCSA-N
XLogP3.36
TPSA89.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyphenyl)imino-4-(4-nitrophenyl)-1,3-thiazol-3-yl]ethanol?
The IUPAC name of 2-[2-(2-methoxyphenyl)imino-4-(4-nitrophenyl)-1,3-thiazol-3-yl]ethanol (CID 18581571) is 2-[2-(2-methoxyphenyl)imino-4-(4-nitrophenyl)-1,3-thiazol-3-yl]ethanol.
What is the SMILES notation for 2-[2-(2-methoxyphenyl)imino-4-(4-nitrophenyl)-1,3-thiazol-3-yl]ethanol?
The canonical SMILES for 2-[2-(2-methoxyphenyl)imino-4-(4-nitrophenyl)-1,3-thiazol-3-yl]ethanol is COc1ccccc1/N=c1\scc(-c2ccc([N+](=O)[O-])cc2)n1CCO.
What is the InChIKey of 2-[2-(2-methoxyphenyl)imino-4-(4-nitrophenyl)-1,3-thiazol-3-yl]ethanol?
The InChIKey is RYCYBAMNXPOFGP-HNENSFHCSA-N. The full InChI is InChI=1S/C18H17N3O4S/c1-25-17-5-3-2-4-15(17)19-18-20(10-11-22)16(12-26-18)13-6-8-14(9-7-13)21(23)24/h2-9,12,22H,10-11H2,1H3/b19-18-.
What are the key properties of 2-[2-(2-methoxyphenyl)imino-4-(4-nitrophenyl)-1,3-thiazol-3-yl]ethanol?
2-[2-(2-methoxyphenyl)imino-4-(4-nitrophenyl)-1,3-thiazol-3-yl]ethanol has a molecular weight of 371.42 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyphenyl)imino-4-(4-nitrophenyl)-1,3-thiazol-3-yl]ethanol is sourced from PubChem (CID 18581571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).