4-[4-(furan-2-yl)-5-methyl-1,3-thiazol-2-yl]aniline

C14H12N2OS — CID 55097440

IUPAC4-[4-(furan-2-yl)-5-methyl-1,3-thiazol-2-yl]aniline
SMILESCc1sc(-c2ccc(N)cc2)nc1-c1ccco1
InChIInChI=1S/C14H12N2OS/c1-9-13(12-3-2-8-17-12)16-14(18-9)10-4-6-11(15)7-5-10/h2-8H,15H2,1H3
InChIKeyXLZLHUNCQUDURB-UHFFFAOYSA-N
MW256.33 g/mol
LogP3.96
Rot. Bonds2

About 4-[4-(furan-2-yl)-5-methyl-1,3-thiazol-2-yl]aniline

4-[4-(furan-2-yl)-5-methyl-1,3-thiazol-2-yl]aniline (PubChem CID 55097440) has the molecular formula C14H12N2OS and a molecular weight of 256.33 g/mol. Its IUPAC name is 4-[4-(furan-2-yl)-5-methyl-1,3-thiazol-2-yl]aniline.

Molecular Properties

Compound Name4-[4-(furan-2-yl)-5-methyl-1,3-thiazol-2-yl]aniline
PubChem CID55097440
Molecular FormulaC14H12N2OS
Molecular Weight256.33 g/mol
Exact Mass256.07
IUPAC Name4-[4-(furan-2-yl)-5-methyl-1,3-thiazol-2-yl]aniline
SMILESCc1sc(-c2ccc(N)cc2)nc1-c1ccco1
InChIInChI=1S/C14H12N2OS/c1-9-13(12-3-2-8-17-12)16-14(18-9)10-4-6-11(15)7-5-10/h2-8H,15H2,1H3
InChIKeyXLZLHUNCQUDURB-UHFFFAOYSA-N
XLogP3.96
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 53.96
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-[4-(furan-2-yl)-5-methyl-1,3-thiazol-2-yl]aniline?
The IUPAC name of 4-[4-(furan-2-yl)-5-methyl-1,3-thiazol-2-yl]aniline (CID 55097440) is 4-[4-(furan-2-yl)-5-methyl-1,3-thiazol-2-yl]aniline.
What is the SMILES notation for 4-[4-(furan-2-yl)-5-methyl-1,3-thiazol-2-yl]aniline?
The canonical SMILES for 4-[4-(furan-2-yl)-5-methyl-1,3-thiazol-2-yl]aniline is Cc1sc(-c2ccc(N)cc2)nc1-c1ccco1.
What is the InChIKey of 4-[4-(furan-2-yl)-5-methyl-1,3-thiazol-2-yl]aniline?
The InChIKey is XLZLHUNCQUDURB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2OS/c1-9-13(12-3-2-8-17-12)16-14(18-9)10-4-6-11(15)7-5-10/h2-8H,15H2,1H3.
What are the key properties of 4-[4-(furan-2-yl)-5-methyl-1,3-thiazol-2-yl]aniline?
4-[4-(furan-2-yl)-5-methyl-1,3-thiazol-2-yl]aniline has a molecular weight of 256.33 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(furan-2-yl)-5-methyl-1,3-thiazol-2-yl]aniline is sourced from PubChem (CID 55097440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).