5-bromo-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-3-carboxamide

C18H11BrN4OS — CID 121024443

IUPAC5-bromo-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(-c2nc3cccnc3s2)cc1)c1cncc(Br)c1
InChIInChI=1S/C18H11BrN4OS/c19-13-8-12(9-20-10-13)16(24)22-14-5-3-11(4-6-14)17-23-15-2-1-7-21-18(15)25-17/h1-10H,(H,22,24)
InChIKeyDSJOWFQJCFZWBX-UHFFFAOYSA-N
MW411.28 g/mol
LogP4.77
Rot. Bonds3

About 5-bromo-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-3-carboxamide

5-bromo-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-3-carboxamide (PubChem CID 121024443) has the molecular formula C18H11BrN4OS and a molecular weight of 411.28 g/mol. Its IUPAC name is 5-bromo-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-3-carboxamide
PubChem CID121024443
Molecular FormulaC18H11BrN4OS
Molecular Weight411.28 g/mol
Exact Mass409.98
IUPAC Name5-bromo-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(-c2nc3cccnc3s2)cc1)c1cncc(Br)c1
InChIInChI=1S/C18H11BrN4OS/c19-13-8-12(9-20-10-13)16(24)22-14-5-3-11(4-6-14)17-23-15-2-1-7-21-18(15)25-17/h1-10H,(H,22,24)
InChIKeyDSJOWFQJCFZWBX-UHFFFAOYSA-N
XLogP4.77
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.28
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dichloro-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide
CID 121024338
N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide
CID 121024375
5-bromo-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]pyridine-3-carboxamide
CID 2111789
6-bromo-2-oxo-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]chromene-3-carboxamide
CID 40998777
5-bromo-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]pyridine-3-carboxamide
CID 122286371
2,4-dimethyl-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-1,3-thiazole-5-carboxamide
CID 121024374
2-nitro-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide
CID 7141317
2-pyridin-3-yloxy-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide
CID 121024419
2-(3-methylphenyl)-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide
CID 7141315
5-bromo-N-[4-(bromomethyl)phenyl]pyridine-3-carboxamide
CID 113274680
5-bromo-N-[4-(carbamoylamino)phenyl]pyridine-3-carboxamide
CID 33152161
2-phenoxy-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide
CID 3397110

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-3-carboxamide (CID 121024443) is 5-bromo-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-3-carboxamide is O=C(Nc1ccc(-c2nc3cccnc3s2)cc1)c1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-3-carboxamide?
The InChIKey is DSJOWFQJCFZWBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11BrN4OS/c19-13-8-12(9-20-10-13)16(24)22-14-5-3-11(4-6-14)17-23-15-2-1-7-21-18(15)25-17/h1-10H,(H,22,24).
What are the key properties of 5-bromo-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-3-carboxamide?
5-bromo-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-3-carboxamide has a molecular weight of 411.28 g/mol, XLogP of 4.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 121024443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).