3-bromo-N-[2-(1,3-thiazol-5-yl)ethyl]benzamide

C12H11BrN2OS — CID 110717489

IUPAC3-bromo-N-[2-(1,3-thiazol-5-yl)ethyl]benzamide
SMILESO=C(NCCc1cncs1)c1cccc(Br)c1
InChIInChI=1S/C12H11BrN2OS/c13-10-3-1-2-9(6-10)12(16)15-5-4-11-7-14-8-17-11/h1-3,6-8H,4-5H2,(H,15,16)
InChIKeyLBCHHVFVHMUOPR-UHFFFAOYSA-N
MW311.20 g/mol
LogP2.88
Rot. Bonds4

About 3-bromo-N-[2-(1,3-thiazol-5-yl)ethyl]benzamide

3-bromo-N-[2-(1,3-thiazol-5-yl)ethyl]benzamide (PubChem CID 110717489) has the molecular formula C12H11BrN2OS and a molecular weight of 311.20 g/mol. Its IUPAC name is 3-bromo-N-[2-(1,3-thiazol-5-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[2-(1,3-thiazol-5-yl)ethyl]benzamide
PubChem CID110717489
Molecular FormulaC12H11BrN2OS
Molecular Weight311.20 g/mol
Exact Mass309.98
IUPAC Name3-bromo-N-[2-(1,3-thiazol-5-yl)ethyl]benzamide
SMILESO=C(NCCc1cncs1)c1cccc(Br)c1
InChIInChI=1S/C12H11BrN2OS/c13-10-3-1-2-9(6-10)12(16)15-5-4-11-7-14-8-17-11/h1-3,6-8H,4-5H2,(H,15,16)
InChIKeyLBCHHVFVHMUOPR-UHFFFAOYSA-N
XLogP2.88
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.20
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dimethyl-N-[2-(1,3-thiazol-5-yl)ethyl]benzamide
CID 110717499
3-bromo-N-(2-pyrimidin-5-ylethyl)benzamide
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3-bromo-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
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N-[2-(1,3-thiazol-5-yl)ethyl]-4-(trifluoromethyl)benzamide
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3-bromo-N-[2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]benzamide
CID 110317642
3-bromo-N-dodecylbenzamide
CID 603918
2-[(3-bromobenzoyl)amino]ethyl carbamate
CID 83203374
3-bromo-N-(5-hydroxypentyl)benzamide
CID 107317897
N-[2-(3-bromophenyl)ethyl]benzamide
CID 90847047
3-bromo-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]benzamide
CID 108537613
N-(8-aminooctyl)-3-bromobenzamide
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2,4-dibromo-N-(1,3-thiazol-5-ylmethyl)benzamide
CID 104579091

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-(1,3-thiazol-5-yl)ethyl]benzamide?
The IUPAC name of 3-bromo-N-[2-(1,3-thiazol-5-yl)ethyl]benzamide (CID 110717489) is 3-bromo-N-[2-(1,3-thiazol-5-yl)ethyl]benzamide.
What is the SMILES notation for 3-bromo-N-[2-(1,3-thiazol-5-yl)ethyl]benzamide?
The canonical SMILES for 3-bromo-N-[2-(1,3-thiazol-5-yl)ethyl]benzamide is O=C(NCCc1cncs1)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-[2-(1,3-thiazol-5-yl)ethyl]benzamide?
The InChIKey is LBCHHVFVHMUOPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2OS/c13-10-3-1-2-9(6-10)12(16)15-5-4-11-7-14-8-17-11/h1-3,6-8H,4-5H2,(H,15,16).
What are the key properties of 3-bromo-N-[2-(1,3-thiazol-5-yl)ethyl]benzamide?
3-bromo-N-[2-(1,3-thiazol-5-yl)ethyl]benzamide has a molecular weight of 311.20 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[2-(1,3-thiazol-5-yl)ethyl]benzamide is sourced from PubChem (CID 110717489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).