2-tert-butylsulfanyl-N-[(Z)-(6-methyl-2-pyridinyl)methylideneamino]acetamide

C13H19N3OS — CID 6078297

IUPAC2-tert-butylsulfanyl-N-[(Z)-(6-methyl-2-pyridinyl)methylideneamino]acetamide
SMILESCc1cccc(/C=N\NC(=O)CSC(C)(C)C)n1
InChIInChI=1S/C13H19N3OS/c1-10-6-5-7-11(15-10)8-14-16-12(17)9-18-13(2,3)4/h5-8H,9H2,1-4H3,(H,16,17)/b14-8-
InChIKeyIQPSCXNNOBIOAI-ZSOIEALJSA-N
MW265.38 g/mol
LogP2.37
Rot. Bonds4

About 2-tert-butylsulfanyl-N-[(Z)-(6-methyl-2-pyridinyl)methylideneamino]acetamide

2-tert-butylsulfanyl-N-[(Z)-(6-methyl-2-pyridinyl)methylideneamino]acetamide (PubChem CID 6078297) has the molecular formula C13H19N3OS and a molecular weight of 265.38 g/mol. Its IUPAC name is 2-tert-butylsulfanyl-N-[(Z)-(6-methyl-2-pyridinyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-tert-butylsulfanyl-N-[(Z)-(6-methyl-2-pyridinyl)methylideneamino]acetamide
PubChem CID6078297
Molecular FormulaC13H19N3OS
Molecular Weight265.38 g/mol
Exact Mass265.12
IUPAC Name2-tert-butylsulfanyl-N-[(Z)-(6-methyl-2-pyridinyl)methylideneamino]acetamide
SMILESCc1cccc(/C=N\NC(=O)CSC(C)(C)C)n1
InChIInChI=1S/C13H19N3OS/c1-10-6-5-7-11(15-10)8-14-16-12(17)9-18-13(2,3)4/h5-8H,9H2,1-4H3,(H,16,17)/b14-8-
InChIKeyIQPSCXNNOBIOAI-ZSOIEALJSA-N
XLogP2.37
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.37
H-Bond Donors ≤ 51
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'}

Analyze 2-tert-butylsulfanyl-N-[(Z)-(6-methyl-2-pyridinyl)methylideneamino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N'-bis[(Z)-(6-methyl-2-pyridinyl)methylideneamino]butanediamide
CID 6371795
N-[(6-methyl-2-pyridinyl)methylideneamino]butanamide
CID 86152430
N-[(E)-(6-methyl-2-pyridinyl)methylideneamino]benzamide
CID 14987546
bis(methyl N-[(6-methyl-2-pyridinyl)methylideneamino]carbamodithioate);zinc
CID 50918126
copper;methyl N-[(6-methyl-2-pyridinyl)methylideneamino]carbamodithioate
CID 175779142
copper;bis(methyl N-[(6-methyl-2-pyridinyl)methylideneamino]carbamodithioate)
CID 50919597
[(6-methyl-2-pyridinyl)methylideneamino]thiourea
CID 5042042
2-[[5-[(4-chloroanilino)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-(6-methyl-2-pyridinyl)methylideneamino]acetamide
CID 51389057
(2S)-2-hydroxy-N-[(Z)-(6-methyl-2-pyridinyl)methylideneamino]-2-phenylacetamide
CID 94849044
copper 1-butyl-3-[(6-methyl-2-pyridinyl)methylideneamino]thiourea
CID 50911193
3-[(6-methyl-2-pyridinyl)methylideneamino]-1,1-dipropylthiourea
CID 3005700
4-methyl-N-[4-[[(E)-(6-methyl-2-pyridinyl)methylideneamino]carbamoyl]phenyl]benzamide
CID 126457990

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylsulfanyl-N-[(Z)-(6-methyl-2-pyridinyl)methylideneamino]acetamide?
The IUPAC name of 2-tert-butylsulfanyl-N-[(Z)-(6-methyl-2-pyridinyl)methylideneamino]acetamide (CID 6078297) is 2-tert-butylsulfanyl-N-[(Z)-(6-methyl-2-pyridinyl)methylideneamino]acetamide.
What is the SMILES notation for 2-tert-butylsulfanyl-N-[(Z)-(6-methyl-2-pyridinyl)methylideneamino]acetamide?
The canonical SMILES for 2-tert-butylsulfanyl-N-[(Z)-(6-methyl-2-pyridinyl)methylideneamino]acetamide is Cc1cccc(/C=N\NC(=O)CSC(C)(C)C)n1.
What is the InChIKey of 2-tert-butylsulfanyl-N-[(Z)-(6-methyl-2-pyridinyl)methylideneamino]acetamide?
The InChIKey is IQPSCXNNOBIOAI-ZSOIEALJSA-N. The full InChI is InChI=1S/C13H19N3OS/c1-10-6-5-7-11(15-10)8-14-16-12(17)9-18-13(2,3)4/h5-8H,9H2,1-4H3,(H,16,17)/b14-8-.
What are the key properties of 2-tert-butylsulfanyl-N-[(Z)-(6-methyl-2-pyridinyl)methylideneamino]acetamide?
2-tert-butylsulfanyl-N-[(Z)-(6-methyl-2-pyridinyl)methylideneamino]acetamide has a molecular weight of 265.38 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylsulfanyl-N-[(Z)-(6-methyl-2-pyridinyl)methylideneamino]acetamide is sourced from PubChem (CID 6078297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).