2-[[3-(5-methyl-4-phenyl-1,3-thiazol-2-yl)phenyl]hydrazinylidene]propanedinitrile

C19H13N5S — CID 169340608

IUPAC2-[[3-(5-methyl-4-phenyl-1,3-thiazol-2-yl)phenyl]hydrazinylidene]propanedinitrile
SMILESCc1sc(-c2cccc(NN=C(C#N)C#N)c2)nc1-c1ccccc1
InChIInChI=1S/C19H13N5S/c1-13-18(14-6-3-2-4-7-14)22-19(25-13)15-8-5-9-16(10-15)23-24-17(11-20)12-21/h2-10,23H,1H3
InChIKeyPOCXCFCYXCIHRB-UHFFFAOYSA-N
MW343.42 g/mol
LogP4.60
Rot. Bonds4

About 2-[[3-(5-methyl-4-phenyl-1,3-thiazol-2-yl)phenyl]hydrazinylidene]propanedinitrile

2-[[3-(5-methyl-4-phenyl-1,3-thiazol-2-yl)phenyl]hydrazinylidene]propanedinitrile (PubChem CID 169340608) has the molecular formula C19H13N5S and a molecular weight of 343.42 g/mol. Its IUPAC name is 2-[[3-(5-methyl-4-phenyl-1,3-thiazol-2-yl)phenyl]hydrazinylidene]propanedinitrile.

Molecular Properties

Compound Name2-[[3-(5-methyl-4-phenyl-1,3-thiazol-2-yl)phenyl]hydrazinylidene]propanedinitrile
PubChem CID169340608
Molecular FormulaC19H13N5S
Molecular Weight343.42 g/mol
Exact Mass343.09
IUPAC Name2-[[3-(5-methyl-4-phenyl-1,3-thiazol-2-yl)phenyl]hydrazinylidene]propanedinitrile
SMILESCc1sc(-c2cccc(NN=C(C#N)C#N)c2)nc1-c1ccccc1
InChIInChI=1S/C19H13N5S/c1-13-18(14-6-3-2-4-7-14)22-19(25-13)15-8-5-9-16(10-15)23-24-17(11-20)12-21/h2-10,23H,1H3
InChIKeyPOCXCFCYXCIHRB-UHFFFAOYSA-N
XLogP4.60
TPSA84.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_imine_B(17)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(5-methyl-4-phenyl-1,3-thiazol-2-yl)phenol
CID 28942281
2-[[3-(4-methoxyphenyl)phenyl]hydrazinylidene]propanedinitrile
CID 169338906
2-[[3-(1H-pyrazol-5-yl)phenyl]hydrazinylidene]propanedinitrile
CID 169340828
3-cyano-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 108747975
2-[[3-(3,4,5-trimethoxyphenyl)phenyl]hydrazinylidene]propanedinitrile
CID 169339325
2-[[3-(4-ethoxy-3,5-dimethylphenyl)phenyl]hydrazinylidene]propanedinitrile
CID 169339424
2-[(3-chlorophenyl)hydrazinylidene]propanedinitrile
CID 2603
2-(4-chlorophenyl)-5-methyl-4-phenyl-1,3-thiazole
CID 3617286
2-cyano-N-[3-(4,5-diphenyl-1,3-thiazol-2-yl)phenyl]acetamide
CID 168523125
2-[[3-[2-(dimethylamino)-5-(trifluoromethyl)-3-pyridinyl]phenyl]hydrazinylidene]propanedinitrile
CID 169338259
2-[(2-methyl-4-phenylphenyl)hydrazinylidene]propanedinitrile
CID 169341630
N-[3-[2-(dicyanomethylidene)hydrazinyl]phenyl]methanesulfonamide
CID 169337738

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(5-methyl-4-phenyl-1,3-thiazol-2-yl)phenyl]hydrazinylidene]propanedinitrile?
The IUPAC name of 2-[[3-(5-methyl-4-phenyl-1,3-thiazol-2-yl)phenyl]hydrazinylidene]propanedinitrile (CID 169340608) is 2-[[3-(5-methyl-4-phenyl-1,3-thiazol-2-yl)phenyl]hydrazinylidene]propanedinitrile.
What is the SMILES notation for 2-[[3-(5-methyl-4-phenyl-1,3-thiazol-2-yl)phenyl]hydrazinylidene]propanedinitrile?
The canonical SMILES for 2-[[3-(5-methyl-4-phenyl-1,3-thiazol-2-yl)phenyl]hydrazinylidene]propanedinitrile is Cc1sc(-c2cccc(NN=C(C#N)C#N)c2)nc1-c1ccccc1.
What is the InChIKey of 2-[[3-(5-methyl-4-phenyl-1,3-thiazol-2-yl)phenyl]hydrazinylidene]propanedinitrile?
The InChIKey is POCXCFCYXCIHRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N5S/c1-13-18(14-6-3-2-4-7-14)22-19(25-13)15-8-5-9-16(10-15)23-24-17(11-20)12-21/h2-10,23H,1H3.
What are the key properties of 2-[[3-(5-methyl-4-phenyl-1,3-thiazol-2-yl)phenyl]hydrazinylidene]propanedinitrile?
2-[[3-(5-methyl-4-phenyl-1,3-thiazol-2-yl)phenyl]hydrazinylidene]propanedinitrile has a molecular weight of 343.42 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(5-methyl-4-phenyl-1,3-thiazol-2-yl)phenyl]hydrazinylidene]propanedinitrile is sourced from PubChem (CID 169340608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).