2-N-[[2-(4-methylphenyl)sulfonylphenyl]methylideneamino]-1,3-thiazole-2,4-diamine

C17H16N4O2S2 — CID 168627757

IUPAC2-N-[[2-(4-methylphenyl)sulfonylphenyl]methylideneamino]-1,3-thiazole-2,4-diamine
SMILESCc1ccc(S(=O)(=O)c2ccccc2C=NNc2nc(N)cs2)cc1
InChIInChI=1S/C17H16N4O2S2/c1-12-6-8-14(9-7-12)25(22,23)15-5-3-2-4-13(15)10-19-21-17-20-16(18)11-24-17/h2-11H,18H2,1H3,(H,20,21)
InChIKeyPYUGGGFFBAMLPZ-UHFFFAOYSA-N
MW372.48 g/mol
LogP3.31
Rot. Bonds5

About 2-N-[[2-(4-methylphenyl)sulfonylphenyl]methylideneamino]-1,3-thiazole-2,4-diamine

2-N-[[2-(4-methylphenyl)sulfonylphenyl]methylideneamino]-1,3-thiazole-2,4-diamine (PubChem CID 168627757) has the molecular formula C17H16N4O2S2 and a molecular weight of 372.48 g/mol. Its IUPAC name is 2-N-[[2-(4-methylphenyl)sulfonylphenyl]methylideneamino]-1,3-thiazole-2,4-diamine.

Molecular Properties

Compound Name2-N-[[2-(4-methylphenyl)sulfonylphenyl]methylideneamino]-1,3-thiazole-2,4-diamine
PubChem CID168627757
Molecular FormulaC17H16N4O2S2
Molecular Weight372.48 g/mol
Exact Mass372.07
IUPAC Name2-N-[[2-(4-methylphenyl)sulfonylphenyl]methylideneamino]-1,3-thiazole-2,4-diamine
SMILESCc1ccc(S(=O)(=O)c2ccccc2C=NNc2nc(N)cs2)cc1
InChIInChI=1S/C17H16N4O2S2/c1-12-6-8-14(9-7-12)25(22,23)15-5-3-2-4-13(15)10-19-21-17-20-16(18)11-24-17/h2-11H,18H2,1H3,(H,20,21)
InChIKeyPYUGGGFFBAMLPZ-UHFFFAOYSA-N
XLogP3.31
TPSA97.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.48
LogP ≤ 53.31
H-Bond Donors ≤ 52
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

N-[2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]methanesulfonamide
CID 168627401
2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-6-methylphenol
CID 168625735
2-N-(naphthalen-1-ylmethylideneamino)-1,3-thiazole-2,4-diamine
CID 168625528
[[2-(4-methylphenyl)sulfonylphenyl]methylideneamino]thiourea
CID 168535888
ethyl 4-[2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]benzoate
CID 168628165
2-N-[(2,3,4,5,6-pentamethylphenyl)methylideneamino]-1,3-thiazole-2,4-diamine
CID 168626305
2-N-[[2-(4-tert-butylphenoxy)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine
CID 168627709
2-N-[(1-fluoronaphthalen-2-yl)methylideneamino]-1,3-thiazole-2,4-diamine
CID 168628178
ethyl 2-[2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]acetate
CID 168627585
2-N-[(4-methyl-2-phenylmethoxyphenyl)methylideneamino]-1,3-thiazole-2,4-diamine
CID 168625826
2-N-[(2-pentoxyphenyl)methylideneamino]-1,3-thiazole-2,4-diamine
CID 168625942
2-N-[(2,4-difluoro-3-methylphenyl)methylideneamino]-1,3-thiazole-2,4-diamine
CID 168625881

Frequently Asked Questions

What is the IUPAC name of 2-N-[[2-(4-methylphenyl)sulfonylphenyl]methylideneamino]-1,3-thiazole-2,4-diamine?
The IUPAC name of 2-N-[[2-(4-methylphenyl)sulfonylphenyl]methylideneamino]-1,3-thiazole-2,4-diamine (CID 168627757) is 2-N-[[2-(4-methylphenyl)sulfonylphenyl]methylideneamino]-1,3-thiazole-2,4-diamine.
What is the SMILES notation for 2-N-[[2-(4-methylphenyl)sulfonylphenyl]methylideneamino]-1,3-thiazole-2,4-diamine?
The canonical SMILES for 2-N-[[2-(4-methylphenyl)sulfonylphenyl]methylideneamino]-1,3-thiazole-2,4-diamine is Cc1ccc(S(=O)(=O)c2ccccc2C=NNc2nc(N)cs2)cc1.
What is the InChIKey of 2-N-[[2-(4-methylphenyl)sulfonylphenyl]methylideneamino]-1,3-thiazole-2,4-diamine?
The InChIKey is PYUGGGFFBAMLPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2S2/c1-12-6-8-14(9-7-12)25(22,23)15-5-3-2-4-13(15)10-19-21-17-20-16(18)11-24-17/h2-11H,18H2,1H3,(H,20,21).
What are the key properties of 2-N-[[2-(4-methylphenyl)sulfonylphenyl]methylideneamino]-1,3-thiazole-2,4-diamine?
2-N-[[2-(4-methylphenyl)sulfonylphenyl]methylideneamino]-1,3-thiazole-2,4-diamine has a molecular weight of 372.48 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[[2-(4-methylphenyl)sulfonylphenyl]methylideneamino]-1,3-thiazole-2,4-diamine is sourced from PubChem (CID 168627757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).