4-(pyrazol-1-ylmethyl)-N-(1,3-thiazol-4-ylmethyl)aniline

C14H14N4S — CID 61171807

IUPAC4-(pyrazol-1-ylmethyl)-N-(1,3-thiazol-4-ylmethyl)aniline
SMILESc1cnn(Cc2ccc(NCc3cscn3)cc2)c1
InChIInChI=1S/C14H14N4S/c1-6-17-18(7-1)9-12-2-4-13(5-3-12)15-8-14-10-19-11-16-14/h1-7,10-11,15H,8-9H2
InChIKeySVJHLTNFECGQPP-UHFFFAOYSA-N
MW270.36 g/mol
LogP3.00
Rot. Bonds5

About 4-(pyrazol-1-ylmethyl)-N-(1,3-thiazol-4-ylmethyl)aniline

4-(pyrazol-1-ylmethyl)-N-(1,3-thiazol-4-ylmethyl)aniline (PubChem CID 61171807) has the molecular formula C14H14N4S and a molecular weight of 270.36 g/mol. Its IUPAC name is 4-(pyrazol-1-ylmethyl)-N-(1,3-thiazol-4-ylmethyl)aniline.

Molecular Properties

Compound Name4-(pyrazol-1-ylmethyl)-N-(1,3-thiazol-4-ylmethyl)aniline
PubChem CID61171807
Molecular FormulaC14H14N4S
Molecular Weight270.36 g/mol
Exact Mass270.09
IUPAC Name4-(pyrazol-1-ylmethyl)-N-(1,3-thiazol-4-ylmethyl)aniline
SMILESc1cnn(Cc2ccc(NCc3cscn3)cc2)c1
InChIInChI=1S/C14H14N4S/c1-6-17-18(7-1)9-12-2-4-13(5-3-12)15-8-14-10-19-11-16-14/h1-7,10-11,15H,8-9H2
InChIKeySVJHLTNFECGQPP-UHFFFAOYSA-N
XLogP3.00
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-bromophenyl)methyl]-4-(pyrazol-1-ylmethyl)aniline
CID 60942760
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-(pyrazol-1-ylmethyl)aniline
CID 60937882
N-[(2-chlorophenyl)methyl]-4-(pyrazol-1-ylmethyl)aniline
CID 60942759
[5-[[4-(pyrazol-1-ylmethyl)anilino]methyl]furan-2-yl]methanol
CID 64591413
4-methoxy-N-(1,3-thiazol-4-ylmethyl)aniline
CID 60685427
N-butan-2-yl-4-(pyrazol-1-ylmethyl)aniline
CID 54863485
3-chloro-N-(1,3-thiazol-4-ylmethyl)aniline
CID 59740767
N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-4-(pyrazol-1-ylmethyl)aniline
CID 71913521
4-morpholin-4-yl-N-(1,3-thiazol-4-ylmethyl)aniline
CID 60685189
1-propyl-N-(1,3-thiazol-4-ylmethyl)pyrazol-4-amine
CID 115749372
1-[(4-ethylphenyl)methyl]pyrazole
CID 63811734
3-(1-ethylimidazol-2-yl)-N-(1,3-thiazol-4-ylmethyl)aniline
CID 71967970

Frequently Asked Questions

What is the IUPAC name of 4-(pyrazol-1-ylmethyl)-N-(1,3-thiazol-4-ylmethyl)aniline?
The IUPAC name of 4-(pyrazol-1-ylmethyl)-N-(1,3-thiazol-4-ylmethyl)aniline (CID 61171807) is 4-(pyrazol-1-ylmethyl)-N-(1,3-thiazol-4-ylmethyl)aniline.
What is the SMILES notation for 4-(pyrazol-1-ylmethyl)-N-(1,3-thiazol-4-ylmethyl)aniline?
The canonical SMILES for 4-(pyrazol-1-ylmethyl)-N-(1,3-thiazol-4-ylmethyl)aniline is c1cnn(Cc2ccc(NCc3cscn3)cc2)c1.
What is the InChIKey of 4-(pyrazol-1-ylmethyl)-N-(1,3-thiazol-4-ylmethyl)aniline?
The InChIKey is SVJHLTNFECGQPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4S/c1-6-17-18(7-1)9-12-2-4-13(5-3-12)15-8-14-10-19-11-16-14/h1-7,10-11,15H,8-9H2.
What are the key properties of 4-(pyrazol-1-ylmethyl)-N-(1,3-thiazol-4-ylmethyl)aniline?
4-(pyrazol-1-ylmethyl)-N-(1,3-thiazol-4-ylmethyl)aniline has a molecular weight of 270.36 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pyrazol-1-ylmethyl)-N-(1,3-thiazol-4-ylmethyl)aniline is sourced from PubChem (CID 61171807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).