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

C14H11N3S — CID 1446108

IUPAC4-(2-pyridin-3-yl-1,3-thiazol-4-yl)aniline
SMILESNc1ccc(-c2csc(-c3cccnc3)n2)cc1
InChIInChI=1S/C14H11N3S/c15-12-5-3-10(4-6-12)13-9-18-14(17-13)11-2-1-7-16-8-11/h1-9H,15H2
InChIKeyHLTDAWBBLVRKRM-UHFFFAOYSA-N
MW253.33 g/mol
LogP3.45
Rot. Bonds2

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

4-(2-pyridin-3-yl-1,3-thiazol-4-yl)aniline (PubChem CID 1446108) has the molecular formula C14H11N3S and a molecular weight of 253.33 g/mol. Its IUPAC name is 4-(2-pyridin-3-yl-1,3-thiazol-4-yl)aniline.

Molecular Properties

Compound Name4-(2-pyridin-3-yl-1,3-thiazol-4-yl)aniline
PubChem CID1446108
Molecular FormulaC14H11N3S
Molecular Weight253.33 g/mol
Exact Mass253.07
IUPAC Name4-(2-pyridin-3-yl-1,3-thiazol-4-yl)aniline
SMILESNc1ccc(-c2csc(-c3cccnc3)n2)cc1
InChIInChI=1S/C14H11N3S/c15-12-5-3-10(4-6-12)13-9-18-14(17-13)11-2-1-7-16-8-11/h1-9H,15H2
InChIKeyHLTDAWBBLVRKRM-UHFFFAOYSA-N
XLogP3.45
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-pyridin-3-yl-1,3-thiazol-4-yl)aniline?
The IUPAC name of 4-(2-pyridin-3-yl-1,3-thiazol-4-yl)aniline (CID 1446108) is 4-(2-pyridin-3-yl-1,3-thiazol-4-yl)aniline.
What is the SMILES notation for 4-(2-pyridin-3-yl-1,3-thiazol-4-yl)aniline?
The canonical SMILES for 4-(2-pyridin-3-yl-1,3-thiazol-4-yl)aniline is Nc1ccc(-c2csc(-c3cccnc3)n2)cc1.
What is the InChIKey of 4-(2-pyridin-3-yl-1,3-thiazol-4-yl)aniline?
The InChIKey is HLTDAWBBLVRKRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3S/c15-12-5-3-10(4-6-12)13-9-18-14(17-13)11-2-1-7-16-8-11/h1-9H,15H2.
What are the key properties of 4-(2-pyridin-3-yl-1,3-thiazol-4-yl)aniline?
4-(2-pyridin-3-yl-1,3-thiazol-4-yl)aniline has a molecular weight of 253.33 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-pyridin-3-yl-1,3-thiazol-4-yl)aniline is sourced from PubChem (CID 1446108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).