6-bromo-3-chloro-N-pyrimidin-2-yl-1-benzothiophene-2-carboxamide

C13H7BrClN3OS — CID 2970899

IUPAC6-bromo-3-chloro-N-pyrimidin-2-yl-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1ncccn1)c1sc2cc(Br)ccc2c1Cl
InChIInChI=1S/C13H7BrClN3OS/c14-7-2-3-8-9(6-7)20-11(10(8)15)12(19)18-13-16-4-1-5-17-13/h1-6H,(H,16,17,18,19)
InChIKeyADJKJDKIJMYSBM-UHFFFAOYSA-N
MW368.64 g/mol
LogP4.36
Rot. Bonds2

About 6-bromo-3-chloro-N-pyrimidin-2-yl-1-benzothiophene-2-carboxamide

6-bromo-3-chloro-N-pyrimidin-2-yl-1-benzothiophene-2-carboxamide (PubChem CID 2970899) has the molecular formula C13H7BrClN3OS and a molecular weight of 368.64 g/mol. Its IUPAC name is 6-bromo-3-chloro-N-pyrimidin-2-yl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name6-bromo-3-chloro-N-pyrimidin-2-yl-1-benzothiophene-2-carboxamide
PubChem CID2970899
Molecular FormulaC13H7BrClN3OS
Molecular Weight368.64 g/mol
Exact Mass366.92
IUPAC Name6-bromo-3-chloro-N-pyrimidin-2-yl-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1ncccn1)c1sc2cc(Br)ccc2c1Cl
InChIInChI=1S/C13H7BrClN3OS/c14-7-2-3-8-9(6-7)20-11(10(8)15)12(19)18-13-16-4-1-5-17-13/h1-6H,(H,16,17,18,19)
InChIKeyADJKJDKIJMYSBM-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

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Related Compounds

6-bromo-3-chloro-N-(2-methoxyphenyl)-1-benzothiophene-2-carboxamide
CID 988675
1-(6-bromo-3-chloro-1-benzothiophen-2-yl)ethanone
CID 131145979
N-(3-bromophenyl)-3-chloro-6-fluoro-1-benzothiophene-2-carboxamide
CID 26914051
N-(3-bromophenyl)-3-chloro-1-benzothiophene-2-carboxamide
CID 607008
6-bromo-N-[4-[[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]carbamoyl]phenyl]-3-chloro-1-benzothiophene-2-carboxamide
CID 137062401
3,6-dichloro-N-(2,4-dichlorophenyl)-1-benzothiophene-2-carboxamide
CID 3618411
3-chloro-6-fluoro-N-quinolin-8-yl-1-benzothiophene-2-carboxamide
CID 26123631
2,5-dibromo-N-pyrimidin-2-ylbenzamide
CID 1234506
methyl 4-bromo-2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]benzoate
CID 67512563
6-bromo-N-[1-(5-bromothiophen-2-yl)ethylideneamino]-3-chloro-1-benzothiophene-2-carboxamide
CID 4987910
3,6-dichloro-N-(3,4-dichlorophenyl)-1-benzothiophene-2-carboxamide
CID 3129384
5-bromo-N-pyrimidin-2-ylpyridine-2-carboxamide
CID 62952846

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-chloro-N-pyrimidin-2-yl-1-benzothiophene-2-carboxamide?
The IUPAC name of 6-bromo-3-chloro-N-pyrimidin-2-yl-1-benzothiophene-2-carboxamide (CID 2970899) is 6-bromo-3-chloro-N-pyrimidin-2-yl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 6-bromo-3-chloro-N-pyrimidin-2-yl-1-benzothiophene-2-carboxamide?
The canonical SMILES for 6-bromo-3-chloro-N-pyrimidin-2-yl-1-benzothiophene-2-carboxamide is O=C(Nc1ncccn1)c1sc2cc(Br)ccc2c1Cl.
What is the InChIKey of 6-bromo-3-chloro-N-pyrimidin-2-yl-1-benzothiophene-2-carboxamide?
The InChIKey is ADJKJDKIJMYSBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrClN3OS/c14-7-2-3-8-9(6-7)20-11(10(8)15)12(19)18-13-16-4-1-5-17-13/h1-6H,(H,16,17,18,19).
What are the key properties of 6-bromo-3-chloro-N-pyrimidin-2-yl-1-benzothiophene-2-carboxamide?
6-bromo-3-chloro-N-pyrimidin-2-yl-1-benzothiophene-2-carboxamide 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 6-bromo-3-chloro-N-pyrimidin-2-yl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 2970899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).