5-bromo-N-[3-(1,3-thiazol-2-yl)phenyl]thiophene-2-carboxamide

C14H9BrN2OS2 — CID 47336929

IUPAC5-bromo-N-[3-(1,3-thiazol-2-yl)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1cccc(-c2nccs2)c1)c1ccc(Br)s1
InChIInChI=1S/C14H9BrN2OS2/c15-12-5-4-11(20-12)13(18)17-10-3-1-2-9(8-10)14-16-6-7-19-14/h1-8H,(H,17,18)
InChIKeyIPROTIRTAJKCJX-UHFFFAOYSA-N
MW365.28 g/mol
LogP4.89
Rot. Bonds3

About 5-bromo-N-[3-(1,3-thiazol-2-yl)phenyl]thiophene-2-carboxamide

5-bromo-N-[3-(1,3-thiazol-2-yl)phenyl]thiophene-2-carboxamide (PubChem CID 47336929) has the molecular formula C14H9BrN2OS2 and a molecular weight of 365.28 g/mol. Its IUPAC name is 5-bromo-N-[3-(1,3-thiazol-2-yl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[3-(1,3-thiazol-2-yl)phenyl]thiophene-2-carboxamide
PubChem CID47336929
Molecular FormulaC14H9BrN2OS2
Molecular Weight365.28 g/mol
Exact Mass363.93
IUPAC Name5-bromo-N-[3-(1,3-thiazol-2-yl)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1cccc(-c2nccs2)c1)c1ccc(Br)s1
InChIInChI=1S/C14H9BrN2OS2/c15-12-5-4-11(20-12)13(18)17-10-3-1-2-9(8-10)14-16-6-7-19-14/h1-8H,(H,17,18)
InChIKeyIPROTIRTAJKCJX-UHFFFAOYSA-N
XLogP4.89
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.28
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-bromo-N-[3-(1,3-thiazol-2-yl)phenyl]pyridine-3-carboxamide
CID 66462496
2-bromo-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide
CID 107904091
2-chloro-N-[3-(1,3-thiazol-2-yl)phenyl]pyridine-3-carboxamide
CID 61040465
5-bromo-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]thiophene-2-carboxamide
CID 60732690
2-chloro-N-[3-(1,3-thiazol-2-yl)phenyl]furan-3-carboxamide
CID 106685528
1-(2-hydroxyethyl)-3-[3-(1,3-thiazol-2-yl)phenyl]urea
CID 47442231
N-[3-(1,3-thiazol-2-yl)phenyl]-3-(thiophen-2-ylsulfonylamino)benzamide
CID 55991234
6-[3-[(5-bromothiophene-2-carbonyl)amino]phenyl]-1H-indazole-3-carboxylic acid
CID 68622241
5-chloro-N-[4-(1,3-thiazol-2-yl)phenyl]thiophene-2-carboxamide
CID 17435952
(2S)-2-amino-3-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]butanamide
CID 61180169
3-amino-2-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide
CID 62671032
2-amino-3,3,3-trifluoro-2-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide
CID 79792418

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[3-(1,3-thiazol-2-yl)phenyl]thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-[3-(1,3-thiazol-2-yl)phenyl]thiophene-2-carboxamide (CID 47336929) is 5-bromo-N-[3-(1,3-thiazol-2-yl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[3-(1,3-thiazol-2-yl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-[3-(1,3-thiazol-2-yl)phenyl]thiophene-2-carboxamide is O=C(Nc1cccc(-c2nccs2)c1)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-[3-(1,3-thiazol-2-yl)phenyl]thiophene-2-carboxamide?
The InChIKey is IPROTIRTAJKCJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrN2OS2/c15-12-5-4-11(20-12)13(18)17-10-3-1-2-9(8-10)14-16-6-7-19-14/h1-8H,(H,17,18).
What are the key properties of 5-bromo-N-[3-(1,3-thiazol-2-yl)phenyl]thiophene-2-carboxamide?
5-bromo-N-[3-(1,3-thiazol-2-yl)phenyl]thiophene-2-carboxamide has a molecular weight of 365.28 g/mol, XLogP of 4.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[3-(1,3-thiazol-2-yl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 47336929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).