[(Z)-[chloro-(5-methylthiophen-2-yl)methylidene]amino] N-methylcarbamate

C8H9ClN2O2S — CID 134087148

IUPAC[(Z)-[chloro-(5-methylthiophen-2-yl)methylidene]amino] N-methylcarbamate
SMILESCNC(=O)O/N=C(\Cl)c1ccc(C)s1
InChIInChI=1S/C8H9ClN2O2S/c1-5-3-4-6(14-5)7(9)11-13-8(12)10-2/h3-4H,1-2H3,(H,10,12)/b11-7-
InChIKeyPDKHKUKIQMXPFL-XFFZJAGNSA-N
MW232.69 g/mol
LogP2.31
Rot. Bonds2

About [(Z)-[chloro-(5-methylthiophen-2-yl)methylidene]amino] N-methylcarbamate

[(Z)-[chloro-(5-methylthiophen-2-yl)methylidene]amino] N-methylcarbamate (PubChem CID 134087148) has the molecular formula C8H9ClN2O2S and a molecular weight of 232.69 g/mol. Its IUPAC name is [(Z)-[chloro-(5-methylthiophen-2-yl)methylidene]amino] N-methylcarbamate.

Molecular Properties

Compound Name[(Z)-[chloro-(5-methylthiophen-2-yl)methylidene]amino] N-methylcarbamate
PubChem CID134087148
Molecular FormulaC8H9ClN2O2S
Molecular Weight232.69 g/mol
Exact Mass232.01
IUPAC Name[(Z)-[chloro-(5-methylthiophen-2-yl)methylidene]amino] N-methylcarbamate
SMILESCNC(=O)O/N=C(\Cl)c1ccc(C)s1
InChIInChI=1S/C8H9ClN2O2S/c1-5-3-4-6(14-5)7(9)11-13-8(12)10-2/h3-4H,1-2H3,(H,10,12)/b11-7-
InChIKeyPDKHKUKIQMXPFL-XFFZJAGNSA-N
XLogP2.31
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.69
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(Z)-[chloro-(5-methylthiophen-2-yl)methylidene]amino] N-methylcarbamate?
The IUPAC name of [(Z)-[chloro-(5-methylthiophen-2-yl)methylidene]amino] N-methylcarbamate (CID 134087148) is [(Z)-[chloro-(5-methylthiophen-2-yl)methylidene]amino] N-methylcarbamate.
What is the SMILES notation for [(Z)-[chloro-(5-methylthiophen-2-yl)methylidene]amino] N-methylcarbamate?
The canonical SMILES for [(Z)-[chloro-(5-methylthiophen-2-yl)methylidene]amino] N-methylcarbamate is CNC(=O)O/N=C(\Cl)c1ccc(C)s1.
What is the InChIKey of [(Z)-[chloro-(5-methylthiophen-2-yl)methylidene]amino] N-methylcarbamate?
The InChIKey is PDKHKUKIQMXPFL-XFFZJAGNSA-N. The full InChI is InChI=1S/C8H9ClN2O2S/c1-5-3-4-6(14-5)7(9)11-13-8(12)10-2/h3-4H,1-2H3,(H,10,12)/b11-7-.
What are the key properties of [(Z)-[chloro-(5-methylthiophen-2-yl)methylidene]amino] N-methylcarbamate?
[(Z)-[chloro-(5-methylthiophen-2-yl)methylidene]amino] N-methylcarbamate has a molecular weight of 232.69 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[chloro-(5-methylthiophen-2-yl)methylidene]amino] N-methylcarbamate is sourced from PubChem (CID 134087148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).