2-(1-methyltetrazol-5-yl)sulfanyl-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]acetamide

C14H18N6OS — CID 71452232

IUPAC2-(1-methyltetrazol-5-yl)sulfanyl-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]acetamide
SMILESCC(C)c1ccc(/C=N/NC(=O)CSc2nnnn2C)cc1
InChIInChI=1S/C14H18N6OS/c1-10(2)12-6-4-11(5-7-12)8-15-16-13(21)9-22-14-17-18-19-20(14)3/h4-8,10H,9H2,1-3H3,(H,16,21)/b15-8+
InChIKeyAZLADTFWCWTCJC-OVCLIPMQSA-N
MW318.41 g/mol
LogP1.58
Rot. Bonds6

About 2-(1-methyltetrazol-5-yl)sulfanyl-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]acetamide

2-(1-methyltetrazol-5-yl)sulfanyl-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]acetamide (PubChem CID 71452232) has the molecular formula C14H18N6OS and a molecular weight of 318.41 g/mol. Its IUPAC name is 2-(1-methyltetrazol-5-yl)sulfanyl-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(1-methyltetrazol-5-yl)sulfanyl-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]acetamide
PubChem CID71452232
Molecular FormulaC14H18N6OS
Molecular Weight318.41 g/mol
Exact Mass318.13
IUPAC Name2-(1-methyltetrazol-5-yl)sulfanyl-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]acetamide
SMILESCC(C)c1ccc(/C=N/NC(=O)CSc2nnnn2C)cc1
InChIInChI=1S/C14H18N6OS/c1-10(2)12-6-4-11(5-7-12)8-15-16-13(21)9-22-14-17-18-19-20(14)3/h4-8,10H,9H2,1-3H3,(H,16,21)/b15-8+
InChIKeyAZLADTFWCWTCJC-OVCLIPMQSA-N
XLogP1.58
TPSA85.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.41
LogP ≤ 51.58
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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Related Compounds

2-(1H-1,2,4-triazol-5-ylsulfanyl)-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 6882589
2-(5-amino-1H-tetrazol-1-yl)-N'-{(1E,2Z)-2-methyl-3-[4-(propan-2-yl)phenyl]prop-2-en-1-ylidene}acetohydrazide
CID 9557785
N-[(E)-(3-fluorophenyl)methylideneamino]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 71450406
N-[(E)-(2-fluorophenyl)methylideneamino]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 71452234
N-[(E)-(3-chlorophenyl)methylideneamino]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 71454041
N-[(E)-(2-methylphenyl)methylideneamino]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 71454043
N-[(E)-benzylideneamino]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 71454045
N-[(E)-(4-bromophenyl)methylideneamino]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 71455771
2-(1-methyltetrazol-5-yl)sulfanyl-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 71455772
N-[(E)-(4-methylphenyl)methylideneamino]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 71457560
N-[(E)-(2-bromophenyl)methylideneamino]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 71459449
N-[(E)-(4-chlorophenyl)methylideneamino]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 71459452

Frequently Asked Questions

What is the IUPAC name of 2-(1-methyltetrazol-5-yl)sulfanyl-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(1-methyltetrazol-5-yl)sulfanyl-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]acetamide (CID 71452232) is 2-(1-methyltetrazol-5-yl)sulfanyl-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(1-methyltetrazol-5-yl)sulfanyl-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(1-methyltetrazol-5-yl)sulfanyl-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]acetamide is CC(C)c1ccc(/C=N/NC(=O)CSc2nnnn2C)cc1.
What is the InChIKey of 2-(1-methyltetrazol-5-yl)sulfanyl-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]acetamide?
The InChIKey is AZLADTFWCWTCJC-OVCLIPMQSA-N. The full InChI is InChI=1S/C14H18N6OS/c1-10(2)12-6-4-11(5-7-12)8-15-16-13(21)9-22-14-17-18-19-20(14)3/h4-8,10H,9H2,1-3H3,(H,16,21)/b15-8+.
What are the key properties of 2-(1-methyltetrazol-5-yl)sulfanyl-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]acetamide?
2-(1-methyltetrazol-5-yl)sulfanyl-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]acetamide has a molecular weight of 318.41 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyltetrazol-5-yl)sulfanyl-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]acetamide is sourced from PubChem (CID 71452232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).