N-[(2-chlorophenyl)methylideneamino]-4-methylthiadiazole-5-carboxamide

C11H9ClN4OS — CID 2805294

IUPACN-[(2-chlorophenyl)methylideneamino]-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NN=Cc1ccccc1Cl
InChIInChI=1S/C11H9ClN4OS/c1-7-10(18-16-14-7)11(17)15-13-6-8-4-2-3-5-9(8)12/h2-6H,1H3,(H,15,17)
InChIKeyQGEHBHIOTUZXHY-UHFFFAOYSA-N
MW280.74 g/mol
LogP2.26
Rot. Bonds3

About N-[(2-chlorophenyl)methylideneamino]-4-methylthiadiazole-5-carboxamide

N-[(2-chlorophenyl)methylideneamino]-4-methylthiadiazole-5-carboxamide (PubChem CID 2805294) has the molecular formula C11H9ClN4OS and a molecular weight of 280.74 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methylideneamino]-4-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methylideneamino]-4-methylthiadiazole-5-carboxamide
PubChem CID2805294
Molecular FormulaC11H9ClN4OS
Molecular Weight280.74 g/mol
Exact Mass280.02
IUPAC NameN-[(2-chlorophenyl)methylideneamino]-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NN=Cc1ccccc1Cl
InChIInChI=1S/C11H9ClN4OS/c1-7-10(18-16-14-7)11(17)15-13-6-8-4-2-3-5-9(8)12/h2-6H,1H3,(H,15,17)
InChIKeyQGEHBHIOTUZXHY-UHFFFAOYSA-N
XLogP2.26
TPSA67.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.74
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

N'-[(2-chlorophenyl)methylene]-4-methyl-1,2,3-thiadiazole-5-carbohydrazide
CID 9583505
4-Methyl-N'-[(E)-phenylmethylidene]-1,2,3-thiadiazole-5-carbohydrazide
CID 9621212
N-[(Z)-[(E)-1-(4-chlorophenyl)-3-(4-methylphenyl)prop-2-enylidene]amino]-4-methylthiadiazole-5-carboxamide
CID 118706234
N-[(Z)-[(E)-1-(4-chlorophenyl)-3-(3-methylphenyl)prop-2-enylidene]amino]-4-methylthiadiazole-5-carboxamide
CID 118706235
N'-[(1E)-(2-chloro-6-fluorophenyl)methylene]-4-methyl-1,2,3-thiadiazole-5-carbohydrazide
CID 9663608
N'-(3-chloro-4-methylphenyl)-4-methyl-1,2,3-thiadiazole-5-carbohydrazide
CID 2811330
4-methyl-N'-{(1E)-[3-(trifluoromethyl)phenyl]methylene}-1,2,3-thiadiazole-5-carbohydrazide
CID 9643843
N-[(2-chloro-6-fluorophenyl)methylideneamino]-4-methylthiadiazole-5-carboxamide
CID 3304640
4-methyl-N-[[3-(trifluoromethyl)phenyl]methylideneamino]thiadiazole-5-carboxamide
CID 4043891
N-[(E)-benzylideneamino]-4-(trifluoromethyl)thiadiazole-5-carboxamide
CID 71577409
N-[(E)-1-phenylethylideneamino]-4-(trifluoromethyl)thiadiazole-5-carboxamide
CID 76316288
N-[(E)-(4-chlorophenyl)methylideneamino]-4-(trifluoromethyl)thiadiazole-5-carboxamide
CID 76319977

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methylideneamino]-4-methylthiadiazole-5-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methylideneamino]-4-methylthiadiazole-5-carboxamide (CID 2805294) is N-[(2-chlorophenyl)methylideneamino]-4-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methylideneamino]-4-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methylideneamino]-4-methylthiadiazole-5-carboxamide is Cc1nnsc1C(=O)NN=Cc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methylideneamino]-4-methylthiadiazole-5-carboxamide?
The InChIKey is QGEHBHIOTUZXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN4OS/c1-7-10(18-16-14-7)11(17)15-13-6-8-4-2-3-5-9(8)12/h2-6H,1H3,(H,15,17).
What are the key properties of N-[(2-chlorophenyl)methylideneamino]-4-methylthiadiazole-5-carboxamide?
N-[(2-chlorophenyl)methylideneamino]-4-methylthiadiazole-5-carboxamide has a molecular weight of 280.74 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methylideneamino]-4-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 2805294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).