6-(4-bromophenoxy)-N-(3-methyl-1,3-thiazol-2-ylidene)pyridine-3-carboxamide

C16H12BrN3O2S — CID 52649954

IUPAC6-(4-bromophenoxy)-N-(3-methyl-1,3-thiazol-2-ylidene)pyridine-3-carboxamide
SMILESCn1ccs/c1=N/C(=O)c1ccc(Oc2ccc(Br)cc2)nc1
InChIInChI=1S/C16H12BrN3O2S/c1-20-8-9-23-16(20)19-15(21)11-2-7-14(18-10-11)22-13-5-3-12(17)4-6-13/h2-10H,1H3/b19-16+
InChIKeyLFGYCEMVARGYAL-KNTRCKAVSA-N
MW390.26 g/mol
LogP3.78
Rot. Bonds3

About 6-(4-bromophenoxy)-N-(3-methyl-1,3-thiazol-2-ylidene)pyridine-3-carboxamide

6-(4-bromophenoxy)-N-(3-methyl-1,3-thiazol-2-ylidene)pyridine-3-carboxamide (PubChem CID 52649954) has the molecular formula C16H12BrN3O2S and a molecular weight of 390.26 g/mol. Its IUPAC name is 6-(4-bromophenoxy)-N-(3-methyl-1,3-thiazol-2-ylidene)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(4-bromophenoxy)-N-(3-methyl-1,3-thiazol-2-ylidene)pyridine-3-carboxamide
PubChem CID52649954
Molecular FormulaC16H12BrN3O2S
Molecular Weight390.26 g/mol
Exact Mass388.98
IUPAC Name6-(4-bromophenoxy)-N-(3-methyl-1,3-thiazol-2-ylidene)pyridine-3-carboxamide
SMILESCn1ccs/c1=N/C(=O)c1ccc(Oc2ccc(Br)cc2)nc1
InChIInChI=1S/C16H12BrN3O2S/c1-20-8-9-23-16(20)19-15(21)11-2-7-14(18-10-11)22-13-5-3-12(17)4-6-13/h2-10H,1H3/b19-16+
InChIKeyLFGYCEMVARGYAL-KNTRCKAVSA-N
XLogP3.78
TPSA56.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.26
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-bromophenoxy)-N-(3-methyl-1,3-thiazol-2-ylidene)pyridine-3-carboxamide?
The IUPAC name of 6-(4-bromophenoxy)-N-(3-methyl-1,3-thiazol-2-ylidene)pyridine-3-carboxamide (CID 52649954) is 6-(4-bromophenoxy)-N-(3-methyl-1,3-thiazol-2-ylidene)pyridine-3-carboxamide.
What is the SMILES notation for 6-(4-bromophenoxy)-N-(3-methyl-1,3-thiazol-2-ylidene)pyridine-3-carboxamide?
The canonical SMILES for 6-(4-bromophenoxy)-N-(3-methyl-1,3-thiazol-2-ylidene)pyridine-3-carboxamide is Cn1ccs/c1=N/C(=O)c1ccc(Oc2ccc(Br)cc2)nc1.
What is the InChIKey of 6-(4-bromophenoxy)-N-(3-methyl-1,3-thiazol-2-ylidene)pyridine-3-carboxamide?
The InChIKey is LFGYCEMVARGYAL-KNTRCKAVSA-N. The full InChI is InChI=1S/C16H12BrN3O2S/c1-20-8-9-23-16(20)19-15(21)11-2-7-14(18-10-11)22-13-5-3-12(17)4-6-13/h2-10H,1H3/b19-16+.
What are the key properties of 6-(4-bromophenoxy)-N-(3-methyl-1,3-thiazol-2-ylidene)pyridine-3-carboxamide?
6-(4-bromophenoxy)-N-(3-methyl-1,3-thiazol-2-ylidene)pyridine-3-carboxamide has a molecular weight of 390.26 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromophenoxy)-N-(3-methyl-1,3-thiazol-2-ylidene)pyridine-3-carboxamide is sourced from PubChem (CID 52649954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).