2-[(E)-[(4-methyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)hydrazinylidene]methyl]phenol

C14H15N3OS — CID 135684010

IUPAC2-[(E)-[(4-methyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)hydrazinylidene]methyl]phenol
SMILESC=CCn1c(C)csc1=N/N=C/c1ccccc1O
InChIInChI=1S/C14H15N3OS/c1-3-8-17-11(2)10-19-14(17)16-15-9-12-6-4-5-7-13(12)18/h3-7,9-10,18H,1,8H2,2H3/b15-9+,16-14?
InChIKeyMYMHPAULJHYLDL-YJXFLBDRSA-N
MW273.36 g/mol
LogP2.68
Rot. Bonds4

About 2-[(E)-[(4-methyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)hydrazinylidene]methyl]phenol

2-[(E)-[(4-methyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)hydrazinylidene]methyl]phenol (PubChem CID 135684010) has the molecular formula C14H15N3OS and a molecular weight of 273.36 g/mol. Its IUPAC name is 2-[(E)-[(4-methyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name2-[(E)-[(4-methyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)hydrazinylidene]methyl]phenol
PubChem CID135684010
Molecular FormulaC14H15N3OS
Molecular Weight273.36 g/mol
Exact Mass273.09
IUPAC Name2-[(E)-[(4-methyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)hydrazinylidene]methyl]phenol
SMILESC=CCn1c(C)csc1=N/N=C/c1ccccc1O
InChIInChI=1S/C14H15N3OS/c1-3-8-17-11(2)10-19-14(17)16-15-9-12-6-4-5-7-13(12)18/h3-7,9-10,18H,1,8H2,2H3/b15-9+,16-14?
InChIKeyMYMHPAULJHYLDL-YJXFLBDRSA-N
XLogP2.68
TPSA49.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(Z)-[(Z)-(4-methyl-3-phenyl-1,3-thiazol-2-ylidene)hydrazinylidene]methyl]phenol
CID 136911200
2-ethoxy-4-[(Z)-[(Z)-(4-methyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)hydrazinylidene]methyl]phenol
CID 136911199
(Z)-4-methyl-N-(propan-2-ylideneamino)-3-prop-2-enyl-1,3-thiazol-2-imine
CID 87804391
4-[(E)-[(Z)-(3-ethyl-4-methyl-1,3-thiazol-2-ylidene)hydrazinylidene]methyl]phenol
CID 135666890
(Z)-(4-methyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)hydrazine;hydrochloride
CID 87733892
N-(3,5-dimethylphenyl)-4-methyl-3-prop-2-enyl-1,3-thiazol-2-imine
CID 56972603
N-[4-[(4-methyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)amino]phenyl]acetamide
CID 23848032
N-[(Z)-(4-methyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)amino]quinoline-2-carboxamide
CID 24938684
2-[1-[(2-hydroxyphenyl)methylideneamino]prop-1-enyliminomethyl]phenol
CID 173045611
4-[(Z)-[(Z)-[3-(furan-2-ylmethyl)-4-methyl-1,3-thiazol-2-ylidene]hydrazinylidene]methyl]phenol
CID 136757593
2-[(E)-[(E)-(3-benzyl-6-methyl-1,3-benzothiazol-2-ylidene)hydrazinylidene]methyl]phenol
CID 135642956
2-[(E)-[(Z)-(2-methylphenyl)methylidenehydrazinylidene]methyl]phenol
CID 135478768

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[(4-methyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)hydrazinylidene]methyl]phenol?
The IUPAC name of 2-[(E)-[(4-methyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)hydrazinylidene]methyl]phenol (CID 135684010) is 2-[(E)-[(4-methyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 2-[(E)-[(4-methyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)hydrazinylidene]methyl]phenol?
The canonical SMILES for 2-[(E)-[(4-methyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)hydrazinylidene]methyl]phenol is C=CCn1c(C)csc1=N/N=C/c1ccccc1O.
What is the InChIKey of 2-[(E)-[(4-methyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)hydrazinylidene]methyl]phenol?
The InChIKey is MYMHPAULJHYLDL-YJXFLBDRSA-N. The full InChI is InChI=1S/C14H15N3OS/c1-3-8-17-11(2)10-19-14(17)16-15-9-12-6-4-5-7-13(12)18/h3-7,9-10,18H,1,8H2,2H3/b15-9+,16-14?.
What are the key properties of 2-[(E)-[(4-methyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)hydrazinylidene]methyl]phenol?
2-[(E)-[(4-methyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)hydrazinylidene]methyl]phenol has a molecular weight of 273.36 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[(4-methyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 135684010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).