N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide

C14H9BrN2OS2 — CID 1179161

IUPACN-[4-(3-bromophenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
SMILESO=C(Nc1nc(-c2cccc(Br)c2)cs1)c1cccs1
InChIInChI=1S/C14H9BrN2OS2/c15-10-4-1-3-9(7-10)11-8-20-14(16-11)17-13(18)12-5-2-6-19-12/h1-8H,(H,16,17,18)
InChIKeyGBNUIQGALPMSTO-UHFFFAOYSA-N
MW365.28 g/mol
LogP4.89
Rot. Bonds3

About N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide

N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide (PubChem CID 1179161) has the molecular formula C14H9BrN2OS2 and a molecular weight of 365.28 g/mol. Its IUPAC name is N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(3-bromophenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
PubChem CID1179161
Molecular FormulaC14H9BrN2OS2
Molecular Weight365.28 g/mol
Exact Mass363.93
IUPAC NameN-[4-(3-bromophenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
SMILESO=C(Nc1nc(-c2cccc(Br)c2)cs1)c1cccs1
InChIInChI=1S/C14H9BrN2OS2/c15-10-4-1-3-9(7-10)11-8-20-14(16-11)17-13(18)12-5-2-6-19-12/h1-8H,(H,16,17,18)
InChIKeyGBNUIQGALPMSTO-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

N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-iodobenzamide
CID 19197485
N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 1240848
2-bromo-N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]benzamide
CID 19194977
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 734128
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide
CID 55334183
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-methylbenzamide
CID 19195032
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-3,4-dichlorobenzamide
CID 19195083
5-bromo-N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 19196356
N-[3-[2-(3-methylanilino)-1,3-thiazol-4-yl]phenyl]thiophene-2-carboxamide
CID 5039153
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2,4-difluorobenzamide
CID 112760887
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-4-(carbamoylamino)benzamide
CID 78775294
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-fluoropyridine-4-carboxamide
CID 60565091

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide (CID 1179161) is N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide is O=C(Nc1nc(-c2cccc(Br)c2)cs1)c1cccs1.
What is the InChIKey of N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide?
The InChIKey is GBNUIQGALPMSTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrN2OS2/c15-10-4-1-3-9(7-10)11-8-20-14(16-11)17-13(18)12-5-2-6-19-12/h1-8H,(H,16,17,18).
What are the key properties of N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide?
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]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 N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 1179161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).