(2R)-2-bromo-3-(4-bromophenyl)-N-(1,3-thiazol-2-yl)propanamide

C12H10Br2N2OS — CID 1184208

IUPAC(2R)-2-bromo-3-(4-bromophenyl)-N-(1,3-thiazol-2-yl)propanamide
SMILESO=C(Nc1nccs1)[C@H](Br)Cc1ccc(Br)cc1
InChIInChI=1S/C12H10Br2N2OS/c13-9-3-1-8(2-4-9)7-10(14)11(17)16-12-15-5-6-18-12/h1-6,10H,7H2,(H,15,16,17)/t10-/m1/s1
InChIKeyOJQGQKMJCCCNCZ-SNVBAGLBSA-N
MW390.10 g/mol
LogP3.85
Rot. Bonds4

About (2R)-2-bromo-3-(4-bromophenyl)-N-(1,3-thiazol-2-yl)propanamide

(2R)-2-bromo-3-(4-bromophenyl)-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 1184208) has the molecular formula C12H10Br2N2OS and a molecular weight of 390.10 g/mol. Its IUPAC name is (2R)-2-bromo-3-(4-bromophenyl)-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-bromo-3-(4-bromophenyl)-N-(1,3-thiazol-2-yl)propanamide
PubChem CID1184208
Molecular FormulaC12H10Br2N2OS
Molecular Weight390.10 g/mol
Exact Mass387.89
IUPAC Name(2R)-2-bromo-3-(4-bromophenyl)-N-(1,3-thiazol-2-yl)propanamide
SMILESO=C(Nc1nccs1)[C@H](Br)Cc1ccc(Br)cc1
InChIInChI=1S/C12H10Br2N2OS/c13-9-3-1-8(2-4-9)7-10(14)11(17)16-12-15-5-6-18-12/h1-6,10H,7H2,(H,15,16,17)/t10-/m1/s1
InChIKeyOJQGQKMJCCCNCZ-SNVBAGLBSA-N
XLogP3.85
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.10
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(4-bromophenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 669868
(2R)-2-amino-3-(4-hydroxyphenyl)-N-(1,3-thiazol-2-yl)propanamide
CID 104904532
3-phenyl-2-sulfanyl-N-(1,3-thiazol-2-yl)propanamide
CID 169288578
4-(4-bromophenoxy)-N-(1,3-thiazol-2-yl)butanamide
CID 2679212
3-(3,4-dimethoxyphenyl)-2-methyl-N-(1,3-thiazol-2-yl)propanamide
CID 110476504
2-amino-N-(1,3-thiazol-2-yl)butanamide
CID 43649283
(2S)-2-methyl-N-(1,3-thiazol-2-yl)pentanamide
CID 7302765
2-(2-bromophenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 102584550
(2S)-2-(methylamino)-N-(1,3-thiazol-2-yl)propanamide
CID 59361268
2-(4-bromopyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 45153796
2-phenyl-N-(1,3-thiazol-2-yl)butanamide
CID 2888884
5-bromo-2-methyl-N-(1,3-thiazol-2-yl)benzamide
CID 65307966

Frequently Asked Questions

What is the IUPAC name of (2R)-2-bromo-3-(4-bromophenyl)-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of (2R)-2-bromo-3-(4-bromophenyl)-N-(1,3-thiazol-2-yl)propanamide (CID 1184208) is (2R)-2-bromo-3-(4-bromophenyl)-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for (2R)-2-bromo-3-(4-bromophenyl)-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for (2R)-2-bromo-3-(4-bromophenyl)-N-(1,3-thiazol-2-yl)propanamide is O=C(Nc1nccs1)[C@H](Br)Cc1ccc(Br)cc1.
What is the InChIKey of (2R)-2-bromo-3-(4-bromophenyl)-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is OJQGQKMJCCCNCZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H10Br2N2OS/c13-9-3-1-8(2-4-9)7-10(14)11(17)16-12-15-5-6-18-12/h1-6,10H,7H2,(H,15,16,17)/t10-/m1/s1.
What are the key properties of (2R)-2-bromo-3-(4-bromophenyl)-N-(1,3-thiazol-2-yl)propanamide?
(2R)-2-bromo-3-(4-bromophenyl)-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 390.10 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-bromo-3-(4-bromophenyl)-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 1184208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).