N-[(1-ethenylpyrazol-4-yl)methyl]-4-(1,3-thiazol-2-yl)aniline

C15H14N4S — CID 106936467

IUPACN-[(1-ethenylpyrazol-4-yl)methyl]-4-(1,3-thiazol-2-yl)aniline
SMILESC=Cn1cc(CNc2ccc(-c3nccs3)cc2)cn1
InChIInChI=1S/C15H14N4S/c1-2-19-11-12(10-18-19)9-17-14-5-3-13(4-6-14)15-16-7-8-20-15/h2-8,10-11,17H,1,9H2
InChIKeyQMNSNRQCBFBERQ-UHFFFAOYSA-N
MW282.37 g/mol
LogP3.72
Rot. Bonds5

About N-[(1-ethenylpyrazol-4-yl)methyl]-4-(1,3-thiazol-2-yl)aniline

N-[(1-ethenylpyrazol-4-yl)methyl]-4-(1,3-thiazol-2-yl)aniline (PubChem CID 106936467) has the molecular formula C15H14N4S and a molecular weight of 282.37 g/mol. Its IUPAC name is N-[(1-ethenylpyrazol-4-yl)methyl]-4-(1,3-thiazol-2-yl)aniline.

Molecular Properties

Compound NameN-[(1-ethenylpyrazol-4-yl)methyl]-4-(1,3-thiazol-2-yl)aniline
PubChem CID106936467
Molecular FormulaC15H14N4S
Molecular Weight282.37 g/mol
Exact Mass282.09
IUPAC NameN-[(1-ethenylpyrazol-4-yl)methyl]-4-(1,3-thiazol-2-yl)aniline
SMILESC=Cn1cc(CNc2ccc(-c3nccs3)cc2)cn1
InChIInChI=1S/C15H14N4S/c1-2-19-11-12(10-18-19)9-17-14-5-3-13(4-6-14)15-16-7-8-20-15/h2-8,10-11,17H,1,9H2
InChIKeyQMNSNRQCBFBERQ-UHFFFAOYSA-N
XLogP3.72
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-ethenylpyrazol-4-yl)methyl]-4-propylaniline
CID 106935518
N-[(1-ethenylpyrazol-4-yl)methyl]-4-methoxyaniline
CID 106935387
4-[(1-ethenylpyrazol-4-yl)methylamino]benzenesulfonamide
CID 106935292
N-[(1-ethenylpyrazol-4-yl)methyl]-4-piperidin-1-ylaniline
CID 106936091
N-[(1-ethenylpyrazol-4-yl)methyl]quinolin-6-amine
CID 106936812
N-[(1-ethenylpyrazol-4-yl)methyl]-4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)aniline
CID 154740115
N-[(3,5-dimethylphenyl)methyl]-4-(1,3-thiazol-2-yl)aniline
CID 60694542
N-[(4-methylsulfanylphenyl)methyl]-4-(1,3-thiazol-2-yl)aniline
CID 60694138
N-[(3-methyltriazol-4-yl)methyl]-4-(1,3-thiazol-2-yl)aniline
CID 115749257
N-[(3-bromothiophen-2-yl)methyl]-4-(1,3-thiazol-2-yl)aniline
CID 115380154
2-[[4-(1,3-thiazol-2-yl)anilino]methyl]phenol
CID 60927719
ethyl 4-[(1-ethenylpyrazol-4-yl)methylamino]benzoate
CID 106935650

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethenylpyrazol-4-yl)methyl]-4-(1,3-thiazol-2-yl)aniline?
The IUPAC name of N-[(1-ethenylpyrazol-4-yl)methyl]-4-(1,3-thiazol-2-yl)aniline (CID 106936467) is N-[(1-ethenylpyrazol-4-yl)methyl]-4-(1,3-thiazol-2-yl)aniline.
What is the SMILES notation for N-[(1-ethenylpyrazol-4-yl)methyl]-4-(1,3-thiazol-2-yl)aniline?
The canonical SMILES for N-[(1-ethenylpyrazol-4-yl)methyl]-4-(1,3-thiazol-2-yl)aniline is C=Cn1cc(CNc2ccc(-c3nccs3)cc2)cn1.
What is the InChIKey of N-[(1-ethenylpyrazol-4-yl)methyl]-4-(1,3-thiazol-2-yl)aniline?
The InChIKey is QMNSNRQCBFBERQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4S/c1-2-19-11-12(10-18-19)9-17-14-5-3-13(4-6-14)15-16-7-8-20-15/h2-8,10-11,17H,1,9H2.
What are the key properties of N-[(1-ethenylpyrazol-4-yl)methyl]-4-(1,3-thiazol-2-yl)aniline?
N-[(1-ethenylpyrazol-4-yl)methyl]-4-(1,3-thiazol-2-yl)aniline has a molecular weight of 282.37 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethenylpyrazol-4-yl)methyl]-4-(1,3-thiazol-2-yl)aniline is sourced from PubChem (CID 106936467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).