4-(1,3-thiazol-2-yl)aniline

C9H8N2S — CID 3474784

IUPAC4-(1,3-thiazol-2-yl)aniline
SMILESNc1ccc(-c2nccs2)cc1
InChIInChI=1S/C9H8N2S/c10-8-3-1-7(2-4-8)9-11-5-6-12-9/h1-6H,10H2
InChIKeyZGOFHPZQYOXFCP-UHFFFAOYSA-N
MW176.24 g/mol
LogP2.39
Rot. Bonds1

About 4-(1,3-thiazol-2-yl)aniline

4-(1,3-thiazol-2-yl)aniline (PubChem CID 3474784) has the molecular formula C9H8N2S and a molecular weight of 176.24 g/mol. Its IUPAC name is 4-(1,3-thiazol-2-yl)aniline.

Molecular Properties

Compound Name4-(1,3-thiazol-2-yl)aniline
PubChem CID3474784
Molecular FormulaC9H8N2S
Molecular Weight176.24 g/mol
Exact Mass176.04
IUPAC Name4-(1,3-thiazol-2-yl)aniline
SMILESNc1ccc(-c2nccs2)cc1
InChIInChI=1S/C9H8N2S/c10-8-3-1-7(2-4-8)9-11-5-6-12-9/h1-6H,10H2
InChIKeyZGOFHPZQYOXFCP-UHFFFAOYSA-N
XLogP2.39
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.24
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-Phenyl-2-(4-pyridyl)thiazole
CID 738483
3-(2-Methyl-thiazol-4-yl)-phenylamine
CID 736535
4-Phenyl-2-(pyridin-3-yl)thiazole
CID 701015
(4-(1,3-Thiazol-2-yl)phenyl)methanamine
CID 21066395
2-Phenyl-4-pyridin-3-yl-1,3-thiazole
CID 2725998
2-Methyl-4-(4-aminophenyl)thiazole
CID 152684
2-Phenylthiazole
CID 547494
(2-Phenyl-1,3-thiazol-5-yl)methanamine
CID 595758
(2-Phenyl-1,3-thiazol-5-yl)methanamine hydrochloride
CID 2932203
5-Methyl-2-phenyl-1,3-thiazole
CID 551875
2-Benzyl-1,3-thiazole
CID 21183829
[3-(1,3-Thiazol-2-YL)phenyl]methylamine
CID 18525727

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-thiazol-2-yl)aniline?
The IUPAC name of 4-(1,3-thiazol-2-yl)aniline (CID 3474784) is 4-(1,3-thiazol-2-yl)aniline.
What is the SMILES notation for 4-(1,3-thiazol-2-yl)aniline?
The canonical SMILES for 4-(1,3-thiazol-2-yl)aniline is Nc1ccc(-c2nccs2)cc1.
What is the InChIKey of 4-(1,3-thiazol-2-yl)aniline?
The InChIKey is ZGOFHPZQYOXFCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2S/c10-8-3-1-7(2-4-8)9-11-5-6-12-9/h1-6H,10H2.
What are the key properties of 4-(1,3-thiazol-2-yl)aniline?
4-(1,3-thiazol-2-yl)aniline has a molecular weight of 176.24 g/mol, XLogP of 2.39, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-thiazol-2-yl)aniline is sourced from PubChem (CID 3474784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).