(2E)-2-[cyclohexyl-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methoxy]iminoacetic acid

C20H24N2O4S — CID 10500489

IUPAC(2E)-2-[cyclohexyl-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methoxy]iminoacetic acid
SMILESCc1nc(COc2ccc(C(O/N=C/C(=O)O)C3CCCCC3)cc2)cs1
InChIInChI=1S/C20H24N2O4S/c1-14-22-17(13-27-14)12-25-18-9-7-16(8-10-18)20(26-21-11-19(23)24)15-5-3-2-4-6-15/h7-11,13,15,20H,2-6,12H2,1H3,(H,23,24)/b21-11+
InChIKeyHREYLLCLQUYOBL-SRZZPIQSSA-N
MW388.49 g/mol
LogP4.74
Rot. Bonds8

About (2E)-2-[cyclohexyl-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methoxy]iminoacetic acid

(2E)-2-[cyclohexyl-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methoxy]iminoacetic acid (PubChem CID 10500489) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is (2E)-2-[cyclohexyl-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methoxy]iminoacetic acid.

Molecular Properties

Compound Name(2E)-2-[cyclohexyl-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methoxy]iminoacetic acid
PubChem CID10500489
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC Name(2E)-2-[cyclohexyl-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methoxy]iminoacetic acid
SMILESCc1nc(COc2ccc(C(O/N=C/C(=O)O)C3CCCCC3)cc2)cs1
InChIInChI=1S/C20H24N2O4S/c1-14-22-17(13-27-14)12-25-18-9-7-16(8-10-18)20(26-21-11-19(23)24)15-5-3-2-4-6-15/h7-11,13,15,20H,2-6,12H2,1H3,(H,23,24)/b21-11+
InChIKeyHREYLLCLQUYOBL-SRZZPIQSSA-N
XLogP4.74
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

7-(2-Isopropyl-thiazol-4-ylmethoxy)-3,4-dimethyl-chromen-2-one
CID 15066947
(2E)-2-[cyclohexyl-[4-[(4-phenyl-1,3-thiazol-2-yl)methoxy]phenyl]methoxy]iminopropanoic acid
CID 10504337
({4-[2-(4-Chloro-phenyl)-thiazol-4-ylmethoxy]-phenyl}-cyclohexyl-methoxyimino)-acetic acid
CID 10528894
(2E)-2-[cyclohexyl-[4-[[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]methoxy]phenyl]methoxy]iminoacetic acid
CID 10529179
(2E)-2-[cyclohexyl-[4-(1,3-thiazol-4-ylmethoxy)phenyl]methoxy]iminopropanoic acid
CID 10834151
(2E)-2-[cyclohexyl-[4-[(4-phenyl-1,3-thiazol-2-yl)methoxy]phenyl]methoxy]iminoacetic acid
CID 44375410
(2E)-2-[cyclohexyl-[4-[[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]methoxy]phenyl]methoxy]iminopropanoic acid
CID 10625407
(2E)-2-[cyclohexyl-[4-(1,3-thiazol-4-ylmethoxy)phenyl]methoxy]iminoacetic acid
CID 10785618
4-Hydroxy-3-(2-isopropylphenyl)sulfanyl-6-[4-[(2-methylthiazol-4-yl)methoxy]phenyl]pyran-2-one
CID 54719993
3-(2-Tert-butyl-5-methyl-phenyl)sulfanyl-4-hydroxy-6-[4-[(2-methylthiazol-4-yl)methoxy]phenyl]pyran-2-one
CID 54719996
2-[[4-[[4-(4-Fluorophenyl)phenoxy]methyl]-1,3-thiazol-2-yl]sulfanyl]-2-methylpropanoic acid
CID 59759322
3-Ethoxy-3-[4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methoxy]phenyl]propanoic acid
CID 67058270

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[cyclohexyl-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methoxy]iminoacetic acid?
The IUPAC name of (2E)-2-[cyclohexyl-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methoxy]iminoacetic acid (CID 10500489) is (2E)-2-[cyclohexyl-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methoxy]iminoacetic acid.
What is the SMILES notation for (2E)-2-[cyclohexyl-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methoxy]iminoacetic acid?
The canonical SMILES for (2E)-2-[cyclohexyl-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methoxy]iminoacetic acid is Cc1nc(COc2ccc(C(O/N=C/C(=O)O)C3CCCCC3)cc2)cs1.
What is the InChIKey of (2E)-2-[cyclohexyl-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methoxy]iminoacetic acid?
The InChIKey is HREYLLCLQUYOBL-SRZZPIQSSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-14-22-17(13-27-14)12-25-18-9-7-16(8-10-18)20(26-21-11-19(23)24)15-5-3-2-4-6-15/h7-11,13,15,20H,2-6,12H2,1H3,(H,23,24)/b21-11+.
What are the key properties of (2E)-2-[cyclohexyl-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methoxy]iminoacetic acid?
(2E)-2-[cyclohexyl-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methoxy]iminoacetic acid has a molecular weight of 388.49 g/mol, XLogP of 4.74, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[cyclohexyl-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methoxy]iminoacetic acid is sourced from PubChem (CID 10500489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).