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

C19H22N2O4S — CID 10785618

IUPAC(2E)-2-[cyclohexyl-[4-(1,3-thiazol-4-ylmethoxy)phenyl]methoxy]iminoacetic acid
SMILESO=C(O)/C=N/OC(c1ccc(OCc2cscn2)cc1)C1CCCCC1
InChIInChI=1S/C19H22N2O4S/c22-18(23)10-21-25-19(14-4-2-1-3-5-14)15-6-8-17(9-7-15)24-11-16-12-26-13-20-16/h6-10,12-14,19H,1-5,11H2,(H,22,23)/b21-10+
InChIKeyFIUIFCIPMDFLOI-UFFVCSGVSA-N
MW374.46 g/mol
LogP4.43
Rot. Bonds8

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

(2E)-2-[cyclohexyl-[4-(1,3-thiazol-4-ylmethoxy)phenyl]methoxy]iminoacetic acid (PubChem CID 10785618) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is (2E)-2-[cyclohexyl-[4-(1,3-thiazol-4-ylmethoxy)phenyl]methoxy]iminoacetic acid.

Molecular Properties

Compound Name(2E)-2-[cyclohexyl-[4-(1,3-thiazol-4-ylmethoxy)phenyl]methoxy]iminoacetic acid
PubChem CID10785618
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC Name(2E)-2-[cyclohexyl-[4-(1,3-thiazol-4-ylmethoxy)phenyl]methoxy]iminoacetic acid
SMILESO=C(O)/C=N/OC(c1ccc(OCc2cscn2)cc1)C1CCCCC1
InChIInChI=1S/C19H22N2O4S/c22-18(23)10-21-25-19(14-4-2-1-3-5-14)15-6-8-17(9-7-15)24-11-16-12-26-13-20-16/h6-10,12-14,19H,1-5,11H2,(H,22,23)/b21-10+
InChIKeyFIUIFCIPMDFLOI-UFFVCSGVSA-N
XLogP4.43
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 54.43
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

{Cyclohexyl-[4-(2-methyl-thiazol-4-ylmethoxy)-phenyl]-methoxyimino}-acetic acid
CID 10500489
(2E)-2-[cyclohexyl-[4-[(4-phenyl-1,3-thiazol-2-yl)methoxy]phenyl]methoxy]iminopropanoic acid
CID 10504337
(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
4-Hydroxy-3-(2-isopropylphenyl)sulfanyl-6-[4-[(2-methylthiazol-4-yl)methoxy]phenyl]pyran-2-one
CID 54719993
(4Z)-2-(2-fluorophenyl)-4-[[4-(1,3-thiazol-4-ylmethoxy)phenyl]methylidene]-1,3-oxazol-5-one
CID 46534608
1-[3-Fluoro-4-(1,3-thiazol-4-ylmethoxy)phenyl]ethanol
CID 104235737
(1S)-1-[3-fluoro-4-(1,3-thiazol-4-ylmethoxy)phenyl]ethanol
CID 104236439
[3-Fluoro-4-(1,3-thiazol-4-ylmethoxy)phenyl]methanol
CID 107690836
(E)-3-[3-fluoro-4-(1,3-thiazol-4-ylmethoxy)phenyl]prop-2-enoic acid
CID 107692332
(1S)-1-[2-fluoro-4-(1,3-thiazol-4-ylmethoxy)phenyl]ethanol
CID 107720659

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[cyclohexyl-[4-(1,3-thiazol-4-ylmethoxy)phenyl]methoxy]iminoacetic acid?
The IUPAC name of (2E)-2-[cyclohexyl-[4-(1,3-thiazol-4-ylmethoxy)phenyl]methoxy]iminoacetic acid (CID 10785618) is (2E)-2-[cyclohexyl-[4-(1,3-thiazol-4-ylmethoxy)phenyl]methoxy]iminoacetic acid.
What is the SMILES notation for (2E)-2-[cyclohexyl-[4-(1,3-thiazol-4-ylmethoxy)phenyl]methoxy]iminoacetic acid?
The canonical SMILES for (2E)-2-[cyclohexyl-[4-(1,3-thiazol-4-ylmethoxy)phenyl]methoxy]iminoacetic acid is O=C(O)/C=N/OC(c1ccc(OCc2cscn2)cc1)C1CCCCC1.
What is the InChIKey of (2E)-2-[cyclohexyl-[4-(1,3-thiazol-4-ylmethoxy)phenyl]methoxy]iminoacetic acid?
The InChIKey is FIUIFCIPMDFLOI-UFFVCSGVSA-N. The full InChI is InChI=1S/C19H22N2O4S/c22-18(23)10-21-25-19(14-4-2-1-3-5-14)15-6-8-17(9-7-15)24-11-16-12-26-13-20-16/h6-10,12-14,19H,1-5,11H2,(H,22,23)/b21-10+.
What are the key properties of (2E)-2-[cyclohexyl-[4-(1,3-thiazol-4-ylmethoxy)phenyl]methoxy]iminoacetic acid?
(2E)-2-[cyclohexyl-[4-(1,3-thiazol-4-ylmethoxy)phenyl]methoxy]iminoacetic acid has a molecular weight of 374.46 g/mol, XLogP of 4.43, 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-(1,3-thiazol-4-ylmethoxy)phenyl]methoxy]iminoacetic acid is sourced from PubChem (CID 10785618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).