N-(5-methyl-1H-pyrazol-3-yl)-4-phenyl-3-prop-2-enyl-1,3-thiazol-2-imine

C16H16N4S — CID 139219010

IUPACN-(5-methyl-1H-pyrazol-3-yl)-4-phenyl-3-prop-2-enyl-1,3-thiazol-2-imine
SMILESC=CCn1c(-c2ccccc2)cs/c1=N\c1cc(C)[nH]n1
InChIInChI=1S/C16H16N4S/c1-3-9-20-14(13-7-5-4-6-8-13)11-21-16(20)17-15-10-12(2)18-19-15/h3-8,10-11H,1,9H2,2H3,(H,18,19)/b17-16-
InChIKeyGYXIMJDDIWGUII-MSUUIHNZSA-N
MW296.40 g/mol
LogP3.67
Rot. Bonds4

About N-(5-methyl-1H-pyrazol-3-yl)-4-phenyl-3-prop-2-enyl-1,3-thiazol-2-imine

N-(5-methyl-1H-pyrazol-3-yl)-4-phenyl-3-prop-2-enyl-1,3-thiazol-2-imine (PubChem CID 139219010) has the molecular formula C16H16N4S and a molecular weight of 296.40 g/mol. Its IUPAC name is N-(5-methyl-1H-pyrazol-3-yl)-4-phenyl-3-prop-2-enyl-1,3-thiazol-2-imine.

Molecular Properties

Compound NameN-(5-methyl-1H-pyrazol-3-yl)-4-phenyl-3-prop-2-enyl-1,3-thiazol-2-imine
PubChem CID139219010
Molecular FormulaC16H16N4S
Molecular Weight296.40 g/mol
Exact Mass296.11
IUPAC NameN-(5-methyl-1H-pyrazol-3-yl)-4-phenyl-3-prop-2-enyl-1,3-thiazol-2-imine
SMILESC=CCn1c(-c2ccccc2)cs/c1=N\c1cc(C)[nH]n1
InChIInChI=1S/C16H16N4S/c1-3-9-20-14(13-7-5-4-6-8-13)11-21-16(20)17-15-10-12(2)18-19-15/h3-8,10-11H,1,9H2,2H3,(H,18,19)/b17-16-
InChIKeyGYXIMJDDIWGUII-MSUUIHNZSA-N
XLogP3.67
TPSA45.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-benzyl-N-(5-methyl-1H-pyrazol-3-yl)-4-phenyl-1,3-thiazol-2-imine
CID 139219009
4-phenyl-N-[4-[(4-phenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)amino]phenyl]-3-prop-2-enyl-1,3-thiazol-2-imine
CID 9498727
4-phenyl-3-prop-2-enyl-N-(2,4,6-trimethylphenyl)-1,3-thiazol-2-imine
CID 5167345
4-phenyl-N-(4-phenylphenyl)-3-prop-2-enyl-1,3-thiazol-2-imine;hydrobromide
CID 45125396
2-[(5-methyl-1H-pyrazol-3-yl)imino]-5,6-diphenyl-3-prop-2-enyl-1,3-thiazin-4-one
CID 177414368
(4-phenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)hydrazine;hydrochloride
CID 69206071
4-(4-methylphenyl)-N-naphthalen-1-yl-3-prop-2-enyl-1,3-thiazol-2-imine bromide
CID 21176725
4-(4-chlorophenyl)-N-(4-methylphenyl)-3-prop-2-enyl-1,3-thiazol-2-imine;hydrobromide
CID 45125372
4-fluoro-N-(4-phenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)benzenesulfonamide
CID 3258814
4-[[4-(4-fluorophenyl)-3-prop-2-enyl-1,3-thiazol-2-ylidene]amino]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 23734181
N-(4-methylphenyl)-4-(3-nitrophenyl)-3-prop-2-enyl-1,3-thiazol-2-imine
CID 23731581
(NE)-N-(4-phenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)thiophene-2-sulfonamide
CID 6041804

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1H-pyrazol-3-yl)-4-phenyl-3-prop-2-enyl-1,3-thiazol-2-imine?
The IUPAC name of N-(5-methyl-1H-pyrazol-3-yl)-4-phenyl-3-prop-2-enyl-1,3-thiazol-2-imine (CID 139219010) is N-(5-methyl-1H-pyrazol-3-yl)-4-phenyl-3-prop-2-enyl-1,3-thiazol-2-imine.
What is the SMILES notation for N-(5-methyl-1H-pyrazol-3-yl)-4-phenyl-3-prop-2-enyl-1,3-thiazol-2-imine?
The canonical SMILES for N-(5-methyl-1H-pyrazol-3-yl)-4-phenyl-3-prop-2-enyl-1,3-thiazol-2-imine is C=CCn1c(-c2ccccc2)cs/c1=N\c1cc(C)[nH]n1.
What is the InChIKey of N-(5-methyl-1H-pyrazol-3-yl)-4-phenyl-3-prop-2-enyl-1,3-thiazol-2-imine?
The InChIKey is GYXIMJDDIWGUII-MSUUIHNZSA-N. The full InChI is InChI=1S/C16H16N4S/c1-3-9-20-14(13-7-5-4-6-8-13)11-21-16(20)17-15-10-12(2)18-19-15/h3-8,10-11H,1,9H2,2H3,(H,18,19)/b17-16-.
What are the key properties of N-(5-methyl-1H-pyrazol-3-yl)-4-phenyl-3-prop-2-enyl-1,3-thiazol-2-imine?
N-(5-methyl-1H-pyrazol-3-yl)-4-phenyl-3-prop-2-enyl-1,3-thiazol-2-imine has a molecular weight of 296.40 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1H-pyrazol-3-yl)-4-phenyl-3-prop-2-enyl-1,3-thiazol-2-imine is sourced from PubChem (CID 139219010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).