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

C15H13N3S2 — CID 24951027

IUPAC2-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methylsulfanyl]aniline
SMILESNc1ccccc1SCc1csc(-c2cccnc2)n1
InChIInChI=1S/C15H13N3S2/c16-13-5-1-2-6-14(13)19-9-12-10-20-15(18-12)11-4-3-7-17-8-11/h1-8,10H,9,16H2
InChIKeyWWAZBSHFJGJWDO-UHFFFAOYSA-N
MW299.42 g/mol
LogP4.08
Rot. Bonds4

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

2-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methylsulfanyl]aniline (PubChem CID 24951027) has the molecular formula C15H13N3S2 and a molecular weight of 299.42 g/mol. Its IUPAC name is 2-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methylsulfanyl]aniline.

Molecular Properties

Compound Name2-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methylsulfanyl]aniline
PubChem CID24951027
Molecular FormulaC15H13N3S2
Molecular Weight299.42 g/mol
Exact Mass299.06
IUPAC Name2-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methylsulfanyl]aniline
SMILESNc1ccccc1SCc1csc(-c2cccnc2)n1
InChIInChI=1S/C15H13N3S2/c16-13-5-1-2-6-14(13)19-9-12-10-20-15(18-12)11-4-3-7-17-8-11/h1-8,10H,9,16H2
InChIKeyWWAZBSHFJGJWDO-UHFFFAOYSA-N
XLogP4.08
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methylsulfanyl]aniline?
The IUPAC name of 2-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methylsulfanyl]aniline (CID 24951027) is 2-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methylsulfanyl]aniline.
What is the SMILES notation for 2-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methylsulfanyl]aniline?
The canonical SMILES for 2-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methylsulfanyl]aniline is Nc1ccccc1SCc1csc(-c2cccnc2)n1.
What is the InChIKey of 2-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methylsulfanyl]aniline?
The InChIKey is WWAZBSHFJGJWDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3S2/c16-13-5-1-2-6-14(13)19-9-12-10-20-15(18-12)11-4-3-7-17-8-11/h1-8,10H,9,16H2.
What are the key properties of 2-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methylsulfanyl]aniline?
2-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methylsulfanyl]aniline has a molecular weight of 299.42 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methylsulfanyl]aniline is sourced from PubChem (CID 24951027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).