N-[(E)-(2,4-dichlorophenyl)methylideneamino]-2-(1-methyltetrazol-5-yl)sulfanylacetamide

C11H10Cl2N6OS — CID 71452230

IUPACN-[(E)-(2,4-dichlorophenyl)methylideneamino]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
SMILESCn1nnnc1SCC(=O)N/N=C/c1ccc(Cl)cc1Cl
InChIInChI=1S/C11H10Cl2N6OS/c1-19-11(16-17-18-19)21-6-10(20)15-14-5-7-2-3-8(12)4-9(7)13/h2-5H,6H2,1H3,(H,15,20)/b14-5+
InChIKeyFRMQXEVHSMNOEB-LHHJGKSTSA-N
MW345.22 g/mol
LogP1.76
Rot. Bonds5

About N-[(E)-(2,4-dichlorophenyl)methylideneamino]-2-(1-methyltetrazol-5-yl)sulfanylacetamide

N-[(E)-(2,4-dichlorophenyl)methylideneamino]-2-(1-methyltetrazol-5-yl)sulfanylacetamide (PubChem CID 71452230) has the molecular formula C11H10Cl2N6OS and a molecular weight of 345.22 g/mol. Its IUPAC name is N-[(E)-(2,4-dichlorophenyl)methylideneamino]-2-(1-methyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[(E)-(2,4-dichlorophenyl)methylideneamino]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
PubChem CID71452230
Molecular FormulaC11H10Cl2N6OS
Molecular Weight345.22 g/mol
Exact Mass344.00
IUPAC NameN-[(E)-(2,4-dichlorophenyl)methylideneamino]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
SMILESCn1nnnc1SCC(=O)N/N=C/c1ccc(Cl)cc1Cl
InChIInChI=1S/C11H10Cl2N6OS/c1-19-11(16-17-18-19)21-6-10(20)15-14-5-7-2-3-8(12)4-9(7)13/h2-5H,6H2,1H3,(H,15,20)/b14-5+
InChIKeyFRMQXEVHSMNOEB-LHHJGKSTSA-N
XLogP1.76
TPSA85.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.22
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2,4-dichlorophenyl)methylideneamino]-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-[(E)-(2,4-dichlorophenyl)methylideneamino]-2-(1-methyltetrazol-5-yl)sulfanylacetamide (CID 71452230) is N-[(E)-(2,4-dichlorophenyl)methylideneamino]-2-(1-methyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-[(E)-(2,4-dichlorophenyl)methylideneamino]-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-[(E)-(2,4-dichlorophenyl)methylideneamino]-2-(1-methyltetrazol-5-yl)sulfanylacetamide is Cn1nnnc1SCC(=O)N/N=C/c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[(E)-(2,4-dichlorophenyl)methylideneamino]-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is FRMQXEVHSMNOEB-LHHJGKSTSA-N. The full InChI is InChI=1S/C11H10Cl2N6OS/c1-19-11(16-17-18-19)21-6-10(20)15-14-5-7-2-3-8(12)4-9(7)13/h2-5H,6H2,1H3,(H,15,20)/b14-5+.
What are the key properties of N-[(E)-(2,4-dichlorophenyl)methylideneamino]-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-2-(1-methyltetrazol-5-yl)sulfanylacetamide has a molecular weight of 345.22 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2,4-dichlorophenyl)methylideneamino]-2-(1-methyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 71452230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).