2-(2-amino-1,3-thiazol-4-yl)-2-(4-tert-butylcyclohexyl)oxyiminoacetic acid

C15H23N3O3S — CID 54129549

IUPAC2-(2-amino-1,3-thiazol-4-yl)-2-(4-tert-butylcyclohexyl)oxyiminoacetic acid
SMILESCC(C)(C)C1CCC(ON=C(C(=O)O)c2csc(N)n2)CC1
InChIInChI=1S/C15H23N3O3S/c1-15(2,3)9-4-6-10(7-5-9)21-18-12(13(19)20)11-8-22-14(16)17-11/h8-10H,4-7H2,1-3H3,(H2,16,17)(H,19,20)
InChIKeyNTJNXUOXJSHKCY-UHFFFAOYSA-N
MW325.43 g/mol
LogP3.14
Rot. Bonds4

About 2-(2-amino-1,3-thiazol-4-yl)-2-(4-tert-butylcyclohexyl)oxyiminoacetic acid

2-(2-amino-1,3-thiazol-4-yl)-2-(4-tert-butylcyclohexyl)oxyiminoacetic acid (PubChem CID 54129549) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is 2-(2-amino-1,3-thiazol-4-yl)-2-(4-tert-butylcyclohexyl)oxyiminoacetic acid.

Molecular Properties

Compound Name2-(2-amino-1,3-thiazol-4-yl)-2-(4-tert-butylcyclohexyl)oxyiminoacetic acid
PubChem CID54129549
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC Name2-(2-amino-1,3-thiazol-4-yl)-2-(4-tert-butylcyclohexyl)oxyiminoacetic acid
SMILESCC(C)(C)C1CCC(ON=C(C(=O)O)c2csc(N)n2)CC1
InChIInChI=1S/C15H23N3O3S/c1-15(2,3)9-4-6-10(7-5-9)21-18-12(13(19)20)11-8-22-14(16)17-11/h8-10H,4-7H2,1-3H3,(H2,16,17)(H,19,20)
InChIKeyNTJNXUOXJSHKCY-UHFFFAOYSA-N
XLogP3.14
TPSA97.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 53.14
H-Bond Donors ≤ 52
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

(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(4-methylcyclohexyl)oxyiminoacetic acid
CID 21248809
(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-[(1R,2R)-2-methoxycyclohexyl]oxyiminoacetic acid
CID 86742865
2-(2-amino-1,3-thiazol-4-yl)-2-[(1R,2R)-2-methoxycyclohexyl]oxyiminoacetic acid
CID 54362828
ethyl (2E)-2-(2-amino-1,3-thiazol-4-yl)-2-cyclopentyloxyiminoacetate
CID 21248947
2-(2-amino-1,3-thiazol-4-yl)-2-cyclopentyloxyiminoethanethioic S-acid
CID 54129320
ethyl (2E)-2-(2-amino-1,3-thiazol-4-yl)-2-cyclohexyloxyiminoacetate
CID 19853740
2-(2-amino-1,3-thiazol-4-yl)-2-cyclohex-2-en-1-yloxyiminoacetic acid
CID 54291324
(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-[(3S)-2-oxopyrrolidin-3-yl]oxyiminoacetic acid
CID 86742631
ethyl 2-(2-amino-1,3-thiazol-4-yl)-2-(4-oxocyclohexyl)oxyiminoacetate
CID 54412970
2-acetyloxyimino-2-(2-amino-1,3-thiazol-4-yl)acetic acid;dihydrochloride
CID 173277547
sodium (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(thian-4-yloxyimino)acetate
CID 23711539
(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]iminoacetic acid
CID 10870340

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-2-(4-tert-butylcyclohexyl)oxyiminoacetic acid?
The IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-2-(4-tert-butylcyclohexyl)oxyiminoacetic acid (CID 54129549) is 2-(2-amino-1,3-thiazol-4-yl)-2-(4-tert-butylcyclohexyl)oxyiminoacetic acid.
What is the SMILES notation for 2-(2-amino-1,3-thiazol-4-yl)-2-(4-tert-butylcyclohexyl)oxyiminoacetic acid?
The canonical SMILES for 2-(2-amino-1,3-thiazol-4-yl)-2-(4-tert-butylcyclohexyl)oxyiminoacetic acid is CC(C)(C)C1CCC(ON=C(C(=O)O)c2csc(N)n2)CC1.
What is the InChIKey of 2-(2-amino-1,3-thiazol-4-yl)-2-(4-tert-butylcyclohexyl)oxyiminoacetic acid?
The InChIKey is NTJNXUOXJSHKCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S/c1-15(2,3)9-4-6-10(7-5-9)21-18-12(13(19)20)11-8-22-14(16)17-11/h8-10H,4-7H2,1-3H3,(H2,16,17)(H,19,20).
What are the key properties of 2-(2-amino-1,3-thiazol-4-yl)-2-(4-tert-butylcyclohexyl)oxyiminoacetic acid?
2-(2-amino-1,3-thiazol-4-yl)-2-(4-tert-butylcyclohexyl)oxyiminoacetic acid has a molecular weight of 325.43 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-1,3-thiazol-4-yl)-2-(4-tert-butylcyclohexyl)oxyiminoacetic acid is sourced from PubChem (CID 54129549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).