4-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-N-pyridin-4-yl-1,3-thiazol-2-amine

C17H11ClN4OS — CID 44528477

IUPAC4-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-N-pyridin-4-yl-1,3-thiazol-2-amine
SMILESClc1ccc(-c2cc(-c3csc(Nc4ccncc4)n3)on2)cc1
InChIInChI=1S/C17H11ClN4OS/c18-12-3-1-11(2-4-12)14-9-16(23-22-14)15-10-24-17(21-15)20-13-5-7-19-8-6-13/h1-10H,(H,19,20,21)
InChIKeyHPVMXYXQDIENFO-UHFFFAOYSA-N
MW354.82 g/mol
LogP5.26
Rot. Bonds4

About 4-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-N-pyridin-4-yl-1,3-thiazol-2-amine

4-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-N-pyridin-4-yl-1,3-thiazol-2-amine (PubChem CID 44528477) has the molecular formula C17H11ClN4OS and a molecular weight of 354.82 g/mol. Its IUPAC name is 4-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-N-pyridin-4-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-N-pyridin-4-yl-1,3-thiazol-2-amine
PubChem CID44528477
Molecular FormulaC17H11ClN4OS
Molecular Weight354.82 g/mol
Exact Mass354.03
IUPAC Name4-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-N-pyridin-4-yl-1,3-thiazol-2-amine
SMILESClc1ccc(-c2cc(-c3csc(Nc4ccncc4)n3)on2)cc1
InChIInChI=1S/C17H11ClN4OS/c18-12-3-1-11(2-4-12)14-9-16(23-22-14)15-10-24-17(21-15)20-13-5-7-19-8-6-13/h1-10H,(H,19,20,21)
InChIKeyHPVMXYXQDIENFO-UHFFFAOYSA-N
XLogP5.26
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.82
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-N-pyridin-4-yl-1,3-thiazol-2-amine?
The IUPAC name of 4-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-N-pyridin-4-yl-1,3-thiazol-2-amine (CID 44528477) is 4-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-N-pyridin-4-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-N-pyridin-4-yl-1,3-thiazol-2-amine?
The canonical SMILES for 4-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-N-pyridin-4-yl-1,3-thiazol-2-amine is Clc1ccc(-c2cc(-c3csc(Nc4ccncc4)n3)on2)cc1.
What is the InChIKey of 4-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-N-pyridin-4-yl-1,3-thiazol-2-amine?
The InChIKey is HPVMXYXQDIENFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClN4OS/c18-12-3-1-11(2-4-12)14-9-16(23-22-14)15-10-24-17(21-15)20-13-5-7-19-8-6-13/h1-10H,(H,19,20,21).
What are the key properties of 4-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-N-pyridin-4-yl-1,3-thiazol-2-amine?
4-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-N-pyridin-4-yl-1,3-thiazol-2-amine has a molecular weight of 354.82 g/mol, XLogP of 5.26, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-N-pyridin-4-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 44528477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).