(4-amino-2-anilino-1,3-thiazol-5-yl)-pyridin-3-ylmethanone

C15H12N4OS — CID 59974568

IUPAC(4-amino-2-anilino-1,3-thiazol-5-yl)-pyridin-3-ylmethanone
SMILESNc1nc(Nc2ccccc2)sc1C(=O)c1cccnc1
InChIInChI=1S/C15H12N4OS/c16-14-13(12(20)10-5-4-8-17-9-10)21-15(19-14)18-11-6-2-1-3-7-11/h1-9H,16H2,(H,18,19)
InChIKeyLERGLIZTDGVNRO-UHFFFAOYSA-N
MW296.36 g/mol
LogP3.09
Rot. Bonds4

About (4-amino-2-anilino-1,3-thiazol-5-yl)-pyridin-3-ylmethanone

(4-amino-2-anilino-1,3-thiazol-5-yl)-pyridin-3-ylmethanone (PubChem CID 59974568) has the molecular formula C15H12N4OS and a molecular weight of 296.36 g/mol. Its IUPAC name is (4-amino-2-anilino-1,3-thiazol-5-yl)-pyridin-3-ylmethanone.

Molecular Properties

Compound Name(4-amino-2-anilino-1,3-thiazol-5-yl)-pyridin-3-ylmethanone
PubChem CID59974568
Molecular FormulaC15H12N4OS
Molecular Weight296.36 g/mol
Exact Mass296.07
IUPAC Name(4-amino-2-anilino-1,3-thiazol-5-yl)-pyridin-3-ylmethanone
SMILESNc1nc(Nc2ccccc2)sc1C(=O)c1cccnc1
InChIInChI=1S/C15H12N4OS/c16-14-13(12(20)10-5-4-8-17-9-10)21-15(19-14)18-11-6-2-1-3-7-11/h1-9H,16H2,(H,18,19)
InChIKeyLERGLIZTDGVNRO-UHFFFAOYSA-N
XLogP3.09
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4-amino-2-anilino-1,3-thiazol-5-yl)-pyridin-3-ylmethanone?
The IUPAC name of (4-amino-2-anilino-1,3-thiazol-5-yl)-pyridin-3-ylmethanone (CID 59974568) is (4-amino-2-anilino-1,3-thiazol-5-yl)-pyridin-3-ylmethanone.
What is the SMILES notation for (4-amino-2-anilino-1,3-thiazol-5-yl)-pyridin-3-ylmethanone?
The canonical SMILES for (4-amino-2-anilino-1,3-thiazol-5-yl)-pyridin-3-ylmethanone is Nc1nc(Nc2ccccc2)sc1C(=O)c1cccnc1.
What is the InChIKey of (4-amino-2-anilino-1,3-thiazol-5-yl)-pyridin-3-ylmethanone?
The InChIKey is LERGLIZTDGVNRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4OS/c16-14-13(12(20)10-5-4-8-17-9-10)21-15(19-14)18-11-6-2-1-3-7-11/h1-9H,16H2,(H,18,19).
What are the key properties of (4-amino-2-anilino-1,3-thiazol-5-yl)-pyridin-3-ylmethanone?
(4-amino-2-anilino-1,3-thiazol-5-yl)-pyridin-3-ylmethanone has a molecular weight of 296.36 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-2-anilino-1,3-thiazol-5-yl)-pyridin-3-ylmethanone is sourced from PubChem (CID 59974568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).