2-(5-chloro-2-formamido-1,3-thiazol-4-yl)-2-[(1-methylpyrazol-4-yl)methoxyimino]acetic acid

C11H10ClN5O4S — CID 57094674

IUPAC2-(5-chloro-2-formamido-1,3-thiazol-4-yl)-2-[(1-methylpyrazol-4-yl)methoxyimino]acetic acid
SMILESCn1cc(CON=C(C(=O)O)c2nc(NC=O)sc2Cl)cn1
InChIInChI=1S/C11H10ClN5O4S/c1-17-3-6(2-14-17)4-21-16-8(10(19)20)7-9(12)22-11(15-7)13-5-18/h2-3,5H,4H2,1H3,(H,19,20)(H,13,15,18)
InChIKeyDUIZHMBWVNQMQV-UHFFFAOYSA-N
MW343.75 g/mol
LogP1.10
Rot. Bonds7

About 2-(5-chloro-2-formamido-1,3-thiazol-4-yl)-2-[(1-methylpyrazol-4-yl)methoxyimino]acetic acid

2-(5-chloro-2-formamido-1,3-thiazol-4-yl)-2-[(1-methylpyrazol-4-yl)methoxyimino]acetic acid (PubChem CID 57094674) has the molecular formula C11H10ClN5O4S and a molecular weight of 343.75 g/mol. Its IUPAC name is 2-(5-chloro-2-formamido-1,3-thiazol-4-yl)-2-[(1-methylpyrazol-4-yl)methoxyimino]acetic acid.

Molecular Properties

Compound Name2-(5-chloro-2-formamido-1,3-thiazol-4-yl)-2-[(1-methylpyrazol-4-yl)methoxyimino]acetic acid
PubChem CID57094674
Molecular FormulaC11H10ClN5O4S
Molecular Weight343.75 g/mol
Exact Mass343.01
IUPAC Name2-(5-chloro-2-formamido-1,3-thiazol-4-yl)-2-[(1-methylpyrazol-4-yl)methoxyimino]acetic acid
SMILESCn1cc(CON=C(C(=O)O)c2nc(NC=O)sc2Cl)cn1
InChIInChI=1S/C11H10ClN5O4S/c1-17-3-6(2-14-17)4-21-16-8(10(19)20)7-9(12)22-11(15-7)13-5-18/h2-3,5H,4H2,1H3,(H,19,20)(H,13,15,18)
InChIKeyDUIZHMBWVNQMQV-UHFFFAOYSA-N
XLogP1.10
TPSA118.70 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.75
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-(5-Chloro-2-formamido-1,3-thiazol-4-yl)-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-4-yl]methoxyimino]acetic acid
CID 54046103
(2Z)-2-(5-chloro-2-formamido-1,3-thiazol-4-yl)-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-4-yl]methoxyimino]acetic acid
CID 88369660
(2Z)-2-(5-chloro-2-formamido-1,3-thiazol-4-yl)-2-[(1-methylpyrazol-4-yl)methoxyimino]acetic acid
CID 88370017

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-formamido-1,3-thiazol-4-yl)-2-[(1-methylpyrazol-4-yl)methoxyimino]acetic acid?
The IUPAC name of 2-(5-chloro-2-formamido-1,3-thiazol-4-yl)-2-[(1-methylpyrazol-4-yl)methoxyimino]acetic acid (CID 57094674) is 2-(5-chloro-2-formamido-1,3-thiazol-4-yl)-2-[(1-methylpyrazol-4-yl)methoxyimino]acetic acid.
What is the SMILES notation for 2-(5-chloro-2-formamido-1,3-thiazol-4-yl)-2-[(1-methylpyrazol-4-yl)methoxyimino]acetic acid?
The canonical SMILES for 2-(5-chloro-2-formamido-1,3-thiazol-4-yl)-2-[(1-methylpyrazol-4-yl)methoxyimino]acetic acid is Cn1cc(CON=C(C(=O)O)c2nc(NC=O)sc2Cl)cn1.
What is the InChIKey of 2-(5-chloro-2-formamido-1,3-thiazol-4-yl)-2-[(1-methylpyrazol-4-yl)methoxyimino]acetic acid?
The InChIKey is DUIZHMBWVNQMQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN5O4S/c1-17-3-6(2-14-17)4-21-16-8(10(19)20)7-9(12)22-11(15-7)13-5-18/h2-3,5H,4H2,1H3,(H,19,20)(H,13,15,18).
What are the key properties of 2-(5-chloro-2-formamido-1,3-thiazol-4-yl)-2-[(1-methylpyrazol-4-yl)methoxyimino]acetic acid?
2-(5-chloro-2-formamido-1,3-thiazol-4-yl)-2-[(1-methylpyrazol-4-yl)methoxyimino]acetic acid has a molecular weight of 343.75 g/mol, XLogP of 1.10, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-formamido-1,3-thiazol-4-yl)-2-[(1-methylpyrazol-4-yl)methoxyimino]acetic acid is sourced from PubChem (CID 57094674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).