4-[2-(pyridin-4-ylmethyl)-1,3-thiazol-4-yl]aniline

C15H13N3S — CID 62550906

IUPAC4-[2-(pyridin-4-ylmethyl)-1,3-thiazol-4-yl]aniline
SMILESNc1ccc(-c2csc(Cc3ccncc3)n2)cc1
InChIInChI=1S/C15H13N3S/c16-13-3-1-12(2-4-13)14-10-19-15(18-14)9-11-5-7-17-8-6-11/h1-8,10H,9,16H2
InChIKeyKWEAXPUSPXWNGG-UHFFFAOYSA-N
MW267.36 g/mol
LogP3.38
Rot. Bonds3

About 4-[2-(pyridin-4-ylmethyl)-1,3-thiazol-4-yl]aniline

4-[2-(pyridin-4-ylmethyl)-1,3-thiazol-4-yl]aniline (PubChem CID 62550906) has the molecular formula C15H13N3S and a molecular weight of 267.36 g/mol. Its IUPAC name is 4-[2-(pyridin-4-ylmethyl)-1,3-thiazol-4-yl]aniline.

Molecular Properties

Compound Name4-[2-(pyridin-4-ylmethyl)-1,3-thiazol-4-yl]aniline
PubChem CID62550906
Molecular FormulaC15H13N3S
Molecular Weight267.36 g/mol
Exact Mass267.08
IUPAC Name4-[2-(pyridin-4-ylmethyl)-1,3-thiazol-4-yl]aniline
SMILESNc1ccc(-c2csc(Cc3ccncc3)n2)cc1
InChIInChI=1S/C15H13N3S/c16-13-3-1-12(2-4-13)14-10-19-15(18-14)9-11-5-7-17-8-6-11/h1-8,10H,9,16H2
InChIKeyKWEAXPUSPXWNGG-UHFFFAOYSA-N
XLogP3.38
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.36
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-[2-(pyridin-4-ylmethyl)-1,3-thiazol-4-yl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]aniline
CID 163208092
4-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]phenol
CID 53391458
[4-(2-benzyl-1,3-thiazol-4-yl)phenyl]methanamine
CID 63152013
4-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]aniline
CID 61308270
2-(chloromethyl)-4-pyridin-4-yl-1,3-thiazole
CID 14152289
(4-pyridin-4-yl-1,3-thiazol-2-yl)methylhydrazine
CID 116970238
3-[2-[(4-methylphenyl)methyl]-1,3-thiazol-4-yl]aniline
CID 62331130
4-chloro-2-(pyridin-4-ylmethyl)-1,3-thiazole
CID 83159119
1-(4-pyridin-4-yl-1,3-thiazol-2-yl)propan-2-amine
CID 62653588
4-[[4-(5-bromofuran-2-yl)-1,3-thiazol-2-yl]methyl]aniline
CID 104653544
2-(pyridin-4-ylmethyl)-1,3-thiazole-4-carbaldehyde
CID 62551222
4-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzene-1,4-diamine bromide
CID 53346790

Frequently Asked Questions

What is the IUPAC name of 4-[2-(pyridin-4-ylmethyl)-1,3-thiazol-4-yl]aniline?
The IUPAC name of 4-[2-(pyridin-4-ylmethyl)-1,3-thiazol-4-yl]aniline (CID 62550906) is 4-[2-(pyridin-4-ylmethyl)-1,3-thiazol-4-yl]aniline.
What is the SMILES notation for 4-[2-(pyridin-4-ylmethyl)-1,3-thiazol-4-yl]aniline?
The canonical SMILES for 4-[2-(pyridin-4-ylmethyl)-1,3-thiazol-4-yl]aniline is Nc1ccc(-c2csc(Cc3ccncc3)n2)cc1.
What is the InChIKey of 4-[2-(pyridin-4-ylmethyl)-1,3-thiazol-4-yl]aniline?
The InChIKey is KWEAXPUSPXWNGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3S/c16-13-3-1-12(2-4-13)14-10-19-15(18-14)9-11-5-7-17-8-6-11/h1-8,10H,9,16H2.
What are the key properties of 4-[2-(pyridin-4-ylmethyl)-1,3-thiazol-4-yl]aniline?
4-[2-(pyridin-4-ylmethyl)-1,3-thiazol-4-yl]aniline has a molecular weight of 267.36 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(pyridin-4-ylmethyl)-1,3-thiazol-4-yl]aniline is sourced from PubChem (CID 62550906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).