3-[4-(3-bromothiophen-2-yl)-1,3-thiazol-2-yl]benzamide

C14H9BrN2OS2 — CID 47061910

IUPAC3-[4-(3-bromothiophen-2-yl)-1,3-thiazol-2-yl]benzamide
SMILESNC(=O)c1cccc(-c2nc(-c3sccc3Br)cs2)c1
InChIInChI=1S/C14H9BrN2OS2/c15-10-4-5-19-12(10)11-7-20-14(17-11)9-3-1-2-8(6-9)13(16)18/h1-7H,(H2,16,18)
InChIKeyAPLYOASWSJPCDR-UHFFFAOYSA-N
MW365.28 g/mol
LogP4.40
Rot. Bonds3

About 3-[4-(3-bromothiophen-2-yl)-1,3-thiazol-2-yl]benzamide

3-[4-(3-bromothiophen-2-yl)-1,3-thiazol-2-yl]benzamide (PubChem CID 47061910) has the molecular formula C14H9BrN2OS2 and a molecular weight of 365.28 g/mol. Its IUPAC name is 3-[4-(3-bromothiophen-2-yl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name3-[4-(3-bromothiophen-2-yl)-1,3-thiazol-2-yl]benzamide
PubChem CID47061910
Molecular FormulaC14H9BrN2OS2
Molecular Weight365.28 g/mol
Exact Mass363.93
IUPAC Name3-[4-(3-bromothiophen-2-yl)-1,3-thiazol-2-yl]benzamide
SMILESNC(=O)c1cccc(-c2nc(-c3sccc3Br)cs2)c1
InChIInChI=1S/C14H9BrN2OS2/c15-10-4-5-19-12(10)11-7-20-14(17-11)9-3-1-2-8(6-9)13(16)18/h1-7H,(H2,16,18)
InChIKeyAPLYOASWSJPCDR-UHFFFAOYSA-N
XLogP4.40
TPSA55.98 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 ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-bromothiophen-2-yl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 3-[4-(3-bromothiophen-2-yl)-1,3-thiazol-2-yl]benzamide (CID 47061910) is 3-[4-(3-bromothiophen-2-yl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 3-[4-(3-bromothiophen-2-yl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 3-[4-(3-bromothiophen-2-yl)-1,3-thiazol-2-yl]benzamide is NC(=O)c1cccc(-c2nc(-c3sccc3Br)cs2)c1.
What is the InChIKey of 3-[4-(3-bromothiophen-2-yl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is APLYOASWSJPCDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrN2OS2/c15-10-4-5-19-12(10)11-7-20-14(17-11)9-3-1-2-8(6-9)13(16)18/h1-7H,(H2,16,18).
What are the key properties of 3-[4-(3-bromothiophen-2-yl)-1,3-thiazol-2-yl]benzamide?
3-[4-(3-bromothiophen-2-yl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 365.28 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-bromothiophen-2-yl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 47061910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).