N-(5-bromo-2-pyridinyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)thiophene-2-carboxamide

C15H12BrN3O2S — CID 4732564

IUPACN-(5-bromo-2-pyridinyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)thiophene-2-carboxamide
SMILESCc1noc(C)c1-c1ccc(C(=O)Nc2ccc(Br)cn2)s1
InChIInChI=1S/C15H12BrN3O2S/c1-8-14(9(2)21-19-8)11-4-5-12(22-11)15(20)18-13-6-3-10(16)7-17-13/h3-7H,1-2H3,(H,17,18,20)
InChIKeyZCAOLOMRCNDTMK-UHFFFAOYSA-N
MW378.25 g/mol
LogP4.43
Rot. Bonds3

About N-(5-bromo-2-pyridinyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)thiophene-2-carboxamide

N-(5-bromo-2-pyridinyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)thiophene-2-carboxamide (PubChem CID 4732564) has the molecular formula C15H12BrN3O2S and a molecular weight of 378.25 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)thiophene-2-carboxamide
PubChem CID4732564
Molecular FormulaC15H12BrN3O2S
Molecular Weight378.25 g/mol
Exact Mass376.98
IUPAC NameN-(5-bromo-2-pyridinyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)thiophene-2-carboxamide
SMILESCc1noc(C)c1-c1ccc(C(=O)Nc2ccc(Br)cn2)s1
InChIInChI=1S/C15H12BrN3O2S/c1-8-14(9(2)21-19-8)11-4-5-12(22-11)15(20)18-13-6-3-10(16)7-17-13/h3-7H,1-2H3,(H,17,18,20)
InChIKeyZCAOLOMRCNDTMK-UHFFFAOYSA-N
XLogP4.43
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.25
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-methylphenyl)thiophene-2-carboxamide
CID 4732571
5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-ethylphenyl)thiophene-2-carboxamide
CID 4732505
5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-propan-2-ylphenyl)thiophene-2-carboxamide
CID 4732524
5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 4732588
N-(5-bromo-2-pyridinyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 79026213
N-(5-bromo-2-pyridinyl)-3,5-dimethylbenzamide
CID 953685
N-(5-bromo-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyran-5-carboxamide
CID 129248687
N-(5-bromo-2-pyridinyl)-4-[(2,5-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19444657
N-(5-bromo-2-pyridinyl)-5-methylthiophene-3-carboxamide
CID 17218099
5-bromo-N-(5-iodo-2-pyridinyl)thiophene-2-carboxamide
CID 65098648
N-(5-bromo-2-pyridinyl)-2,5-dichlorothiophene-3-carboxamide
CID 103604536
5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-N-(3-methylphenyl)thiophene-2-carboxamide
CID 4732484

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)thiophene-2-carboxamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)thiophene-2-carboxamide (CID 4732564) is N-(5-bromo-2-pyridinyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)thiophene-2-carboxamide is Cc1noc(C)c1-c1ccc(C(=O)Nc2ccc(Br)cn2)s1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)thiophene-2-carboxamide?
The InChIKey is ZCAOLOMRCNDTMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN3O2S/c1-8-14(9(2)21-19-8)11-4-5-12(22-11)15(20)18-13-6-3-10(16)7-17-13/h3-7H,1-2H3,(H,17,18,20).
What are the key properties of N-(5-bromo-2-pyridinyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)thiophene-2-carboxamide?
N-(5-bromo-2-pyridinyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)thiophene-2-carboxamide has a molecular weight of 378.25 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)thiophene-2-carboxamide is sourced from PubChem (CID 4732564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).