N-(7-bromo-6-chloro-[1,3]thiazolo[4,5-c]pyridin-2-yl)benzamide

C13H7BrClN3OS — CID 171486825

IUPACN-(7-bromo-6-chloro-[1,3]thiazolo[4,5-c]pyridin-2-yl)benzamide
SMILESO=C(Nc1nc2cnc(Cl)c(Br)c2s1)c1ccccc1
InChIInChI=1S/C13H7BrClN3OS/c14-9-10-8(6-16-11(9)15)17-13(20-10)18-12(19)7-4-2-1-3-5-7/h1-6H,(H,17,18,19)
InChIKeyLGCWKUPTPQOPHW-UHFFFAOYSA-N
MW368.64 g/mol
LogP4.36
Rot. Bonds2

About N-(7-bromo-6-chloro-[1,3]thiazolo[4,5-c]pyridin-2-yl)benzamide

N-(7-bromo-6-chloro-[1,3]thiazolo[4,5-c]pyridin-2-yl)benzamide (PubChem CID 171486825) has the molecular formula C13H7BrClN3OS and a molecular weight of 368.64 g/mol. Its IUPAC name is N-(7-bromo-6-chloro-[1,3]thiazolo[4,5-c]pyridin-2-yl)benzamide.

Molecular Properties

Compound NameN-(7-bromo-6-chloro-[1,3]thiazolo[4,5-c]pyridin-2-yl)benzamide
PubChem CID171486825
Molecular FormulaC13H7BrClN3OS
Molecular Weight368.64 g/mol
Exact Mass366.92
IUPAC NameN-(7-bromo-6-chloro-[1,3]thiazolo[4,5-c]pyridin-2-yl)benzamide
SMILESO=C(Nc1nc2cnc(Cl)c(Br)c2s1)c1ccccc1
InChIInChI=1S/C13H7BrClN3OS/c14-9-10-8(6-16-11(9)15)17-13(20-10)18-12(19)7-4-2-1-3-5-7/h1-6H,(H,17,18,19)
InChIKeyLGCWKUPTPQOPHW-UHFFFAOYSA-N
XLogP4.36
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.64
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(7-bromo-6-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)benzamide
CID 142524471
N-(6,7-dimethyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)benzamide;ethane
CID 154659407
N-(7-nitro-1,3-benzothiazol-2-yl)benzamide
CID 13481964
2-benzamido-1,3-benzothiazole-6-carboxylic acid
CID 19622650
N-(5,6-difluoro-1,3-benzothiazol-2-yl)benzamide
CID 142741981
N-(4-bromo-1,3-benzothiazol-2-yl)benzamide
CID 7202695
N-(4-bromo-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)benzamide
CID 137462568
N-(3-amino-2H-pyrazolo[3,4-d][1,3]thiazol-5-yl)benzamide
CID 58925819
N-[4-(2-benzamido-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]benzamide
CID 4294892
N-[6-[[2-(4-chlorophenoxy)acetyl]amino]-1,3-benzothiazol-2-yl]benzamide
CID 46290875
4-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)benzamide
CID 739315
N-(1,3-benzothiazol-2-yl)-5-chloropyrazine-2-carboxamide
CID 113264920

Frequently Asked Questions

What is the IUPAC name of N-(7-bromo-6-chloro-[1,3]thiazolo[4,5-c]pyridin-2-yl)benzamide?
The IUPAC name of N-(7-bromo-6-chloro-[1,3]thiazolo[4,5-c]pyridin-2-yl)benzamide (CID 171486825) is N-(7-bromo-6-chloro-[1,3]thiazolo[4,5-c]pyridin-2-yl)benzamide.
What is the SMILES notation for N-(7-bromo-6-chloro-[1,3]thiazolo[4,5-c]pyridin-2-yl)benzamide?
The canonical SMILES for N-(7-bromo-6-chloro-[1,3]thiazolo[4,5-c]pyridin-2-yl)benzamide is O=C(Nc1nc2cnc(Cl)c(Br)c2s1)c1ccccc1.
What is the InChIKey of N-(7-bromo-6-chloro-[1,3]thiazolo[4,5-c]pyridin-2-yl)benzamide?
The InChIKey is LGCWKUPTPQOPHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrClN3OS/c14-9-10-8(6-16-11(9)15)17-13(20-10)18-12(19)7-4-2-1-3-5-7/h1-6H,(H,17,18,19).
What are the key properties of N-(7-bromo-6-chloro-[1,3]thiazolo[4,5-c]pyridin-2-yl)benzamide?
N-(7-bromo-6-chloro-[1,3]thiazolo[4,5-c]pyridin-2-yl)benzamide has a molecular weight of 368.64 g/mol, XLogP of 4.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-bromo-6-chloro-[1,3]thiazolo[4,5-c]pyridin-2-yl)benzamide is sourced from PubChem (CID 171486825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).