5-[(Z)-N-(4-chloroanilino)-C-methylcarbonimidoyl]thiophene-2-carboxylic acid

C13H11ClN2O2S — CID 8825843

IUPAC5-[(Z)-N-(4-chloroanilino)-C-methylcarbonimidoyl]thiophene-2-carboxylic acid
SMILESC/C(=N/Nc1ccc(Cl)cc1)c1ccc(C(=O)O)s1
InChIInChI=1S/C13H11ClN2O2S/c1-8(11-6-7-12(19-11)13(17)18)15-16-10-4-2-9(14)3-5-10/h2-7,16H,1H3,(H,17,18)/b15-8-
InChIKeyMKOSXBMNIGCDDJ-NVNXTCNLSA-N
MW294.76 g/mol
LogP3.94
Rot. Bonds4

About 5-[(Z)-N-(4-chloroanilino)-C-methylcarbonimidoyl]thiophene-2-carboxylic acid

5-[(Z)-N-(4-chloroanilino)-C-methylcarbonimidoyl]thiophene-2-carboxylic acid (PubChem CID 8825843) has the molecular formula C13H11ClN2O2S and a molecular weight of 294.76 g/mol. Its IUPAC name is 5-[(Z)-N-(4-chloroanilino)-C-methylcarbonimidoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[(Z)-N-(4-chloroanilino)-C-methylcarbonimidoyl]thiophene-2-carboxylic acid
PubChem CID8825843
Molecular FormulaC13H11ClN2O2S
Molecular Weight294.76 g/mol
Exact Mass294.02
IUPAC Name5-[(Z)-N-(4-chloroanilino)-C-methylcarbonimidoyl]thiophene-2-carboxylic acid
SMILESC/C(=N/Nc1ccc(Cl)cc1)c1ccc(C(=O)O)s1
InChIInChI=1S/C13H11ClN2O2S/c1-8(11-6-7-12(19-11)13(17)18)15-16-10-4-2-9(14)3-5-10/h2-7,16H,1H3,(H,17,18)/b15-8-
InChIKeyMKOSXBMNIGCDDJ-NVNXTCNLSA-N
XLogP3.94
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.76
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

5-[(Z)-N-[[2-(4-chlorophenoxy)acetyl]amino]-C-methylcarbonimidoyl]thiophene-2-carboxylic acid
CID 8826478
5-[(Z)-C-methyl-N-(2-methylanilino)carbonimidoyl]thiophene-2-carboxylic acid
CID 8825867
5-[(Z)-N-[(4,6-dimethylpyrimidin-2-yl)amino]-C-methylcarbonimidoyl]thiophene-2-carboxylic acid
CID 8825838
4-chloro-N-(1-phenylethylideneamino)aniline
CID 78572712
3-[(4-chlorophenyl)hydrazinylidene]butan-2-one
CID 4562553
N-(4-chlorophenyl)ethanehydrazonoyl chloride
CID 86039764
5-[(Z)-C-methyl-N-[4-(4-methylphenyl)sulfonylanilino]carbonimidoyl]thiophene-2-carboxylate
CID 8826589
5-[(Z)-N-(cyclopropanecarbonylamino)-C-methylcarbonimidoyl]thiophene-2-carboxylic acid
CID 8826199
4-[(2Z)-2-[1-(5-chloro-2-methoxyphenyl)ethylidene]hydrazinyl]benzoic acid
CID 8825826
N-[(E)-1-(5-chlorothiophen-2-yl)ethylideneamino]-3-fluoro-4-methylaniline
CID 7346934
N-[(Z)-1-(5-chlorothiophen-2-yl)ethylideneamino]-3-fluoro-4-methylaniline
CID 6037771
2-chloro-5-[(2Z)-2-[1-(2,5-dichlorophenyl)ethylidene]hydrazinyl]benzoic acid
CID 6300123

Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-N-(4-chloroanilino)-C-methylcarbonimidoyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[(Z)-N-(4-chloroanilino)-C-methylcarbonimidoyl]thiophene-2-carboxylic acid (CID 8825843) is 5-[(Z)-N-(4-chloroanilino)-C-methylcarbonimidoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[(Z)-N-(4-chloroanilino)-C-methylcarbonimidoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[(Z)-N-(4-chloroanilino)-C-methylcarbonimidoyl]thiophene-2-carboxylic acid is C/C(=N/Nc1ccc(Cl)cc1)c1ccc(C(=O)O)s1.
What is the InChIKey of 5-[(Z)-N-(4-chloroanilino)-C-methylcarbonimidoyl]thiophene-2-carboxylic acid?
The InChIKey is MKOSXBMNIGCDDJ-NVNXTCNLSA-N. The full InChI is InChI=1S/C13H11ClN2O2S/c1-8(11-6-7-12(19-11)13(17)18)15-16-10-4-2-9(14)3-5-10/h2-7,16H,1H3,(H,17,18)/b15-8-.
What are the key properties of 5-[(Z)-N-(4-chloroanilino)-C-methylcarbonimidoyl]thiophene-2-carboxylic acid?
5-[(Z)-N-(4-chloroanilino)-C-methylcarbonimidoyl]thiophene-2-carboxylic acid has a molecular weight of 294.76 g/mol, XLogP of 3.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-N-(4-chloroanilino)-C-methylcarbonimidoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 8825843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).