N-[[2-(2-chlorophenyl)sulfanylphenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine

C17H14ClN3S2 — CID 168618080

IUPACN-[[2-(2-chlorophenyl)sulfanylphenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
SMILESCc1csc(NN=Cc2ccccc2Sc2ccccc2Cl)n1
InChIInChI=1S/C17H14ClN3S2/c1-12-11-22-17(20-12)21-19-10-13-6-2-4-8-15(13)23-16-9-5-3-7-14(16)18/h2-11H,1H3,(H,20,21)
InChIKeyYPFSSMWFOQGPRR-UHFFFAOYSA-N
MW359.91 g/mol
LogP5.70
Rot. Bonds5

About N-[[2-(2-chlorophenyl)sulfanylphenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine

N-[[2-(2-chlorophenyl)sulfanylphenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine (PubChem CID 168618080) has the molecular formula C17H14ClN3S2 and a molecular weight of 359.91 g/mol. Its IUPAC name is N-[[2-(2-chlorophenyl)sulfanylphenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[[2-(2-chlorophenyl)sulfanylphenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
PubChem CID168618080
Molecular FormulaC17H14ClN3S2
Molecular Weight359.91 g/mol
Exact Mass359.03
IUPAC NameN-[[2-(2-chlorophenyl)sulfanylphenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
SMILESCc1csc(NN=Cc2ccccc2Sc2ccccc2Cl)n1
InChIInChI=1S/C17H14ClN3S2/c1-12-11-22-17(20-12)21-19-10-13-6-2-4-8-15(13)23-16-9-5-3-7-14(16)18/h2-11H,1H3,(H,20,21)
InChIKeyYPFSSMWFOQGPRR-UHFFFAOYSA-N
XLogP5.70
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.91
LogP ≤ 55.70
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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Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-chlorophenyl)sulfanylphenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of N-[[2-(2-chlorophenyl)sulfanylphenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine (CID 168618080) is N-[[2-(2-chlorophenyl)sulfanylphenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[[2-(2-chlorophenyl)sulfanylphenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[[2-(2-chlorophenyl)sulfanylphenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine is Cc1csc(NN=Cc2ccccc2Sc2ccccc2Cl)n1.
What is the InChIKey of N-[[2-(2-chlorophenyl)sulfanylphenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine?
The InChIKey is YPFSSMWFOQGPRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3S2/c1-12-11-22-17(20-12)21-19-10-13-6-2-4-8-15(13)23-16-9-5-3-7-14(16)18/h2-11H,1H3,(H,20,21).
What are the key properties of N-[[2-(2-chlorophenyl)sulfanylphenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine?
N-[[2-(2-chlorophenyl)sulfanylphenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine has a molecular weight of 359.91 g/mol, XLogP of 5.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-chlorophenyl)sulfanylphenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 168618080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).