2-(4-bromophenyl)sulfanyl-N-(4,5-dihydro-1,3-thiazol-2-yl)propanamide

C12H13BrN2OS2 — CID 47265585

IUPAC2-(4-bromophenyl)sulfanyl-N-(4,5-dihydro-1,3-thiazol-2-yl)propanamide
SMILESCC(Sc1ccc(Br)cc1)C(=O)NC1=NCCS1
InChIInChI=1S/C12H13BrN2OS2/c1-8(11(16)15-12-14-6-7-17-12)18-10-4-2-9(13)3-5-10/h2-5,8H,6-7H2,1H3,(H,14,15,16)
InChIKeyGGPNLTRJNIQRET-UHFFFAOYSA-N
MW345.29 g/mol
LogP3.15
Rot. Bonds3

About 2-(4-bromophenyl)sulfanyl-N-(4,5-dihydro-1,3-thiazol-2-yl)propanamide

2-(4-bromophenyl)sulfanyl-N-(4,5-dihydro-1,3-thiazol-2-yl)propanamide (PubChem CID 47265585) has the molecular formula C12H13BrN2OS2 and a molecular weight of 345.29 g/mol. Its IUPAC name is 2-(4-bromophenyl)sulfanyl-N-(4,5-dihydro-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-(4-bromophenyl)sulfanyl-N-(4,5-dihydro-1,3-thiazol-2-yl)propanamide
PubChem CID47265585
Molecular FormulaC12H13BrN2OS2
Molecular Weight345.29 g/mol
Exact Mass343.97
IUPAC Name2-(4-bromophenyl)sulfanyl-N-(4,5-dihydro-1,3-thiazol-2-yl)propanamide
SMILESCC(Sc1ccc(Br)cc1)C(=O)NC1=NCCS1
InChIInChI=1S/C12H13BrN2OS2/c1-8(11(16)15-12-14-6-7-17-12)18-10-4-2-9(13)3-5-10/h2-5,8H,6-7H2,1H3,(H,14,15,16)
InChIKeyGGPNLTRJNIQRET-UHFFFAOYSA-N
XLogP3.15
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.29
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)sulfanylpropanamide
CID 47265591
(2S)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-methyl-2-phenylsulfanylbutanamide
CID 52876063
(2S)-N-(4-bromophenyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 126133104
(2S)-N-(4-bromophenyl)-2-(4-fluorophenyl)sulfanylpropanamide
CID 7553826
(2S)-2-(4-bromophenyl)sulfanyl-N-(4-chlorophenyl)propanamide
CID 7785397
4-(difluoromethylsulfanyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide
CID 51326128
(2R)-2-[[(2S)-2-(4-bromophenyl)sulfanylpropanoyl]amino]propanamide
CID 94178213
(2R)-N-(4-acetylphenyl)-2-(4-bromophenyl)sulfanylpropanamide
CID 2561528
2-(4-bromophenyl)sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 17423023
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanamide
CID 4788887
4-[2-(4-bromophenyl)sulfanylpropanoylamino]benzamide
CID 16554795
4-[[(2S)-2-(4-bromophenyl)sulfanylpropanoyl]amino]benzamide
CID 7785394

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)sulfanyl-N-(4,5-dihydro-1,3-thiazol-2-yl)propanamide?
The IUPAC name of 2-(4-bromophenyl)sulfanyl-N-(4,5-dihydro-1,3-thiazol-2-yl)propanamide (CID 47265585) is 2-(4-bromophenyl)sulfanyl-N-(4,5-dihydro-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 2-(4-bromophenyl)sulfanyl-N-(4,5-dihydro-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 2-(4-bromophenyl)sulfanyl-N-(4,5-dihydro-1,3-thiazol-2-yl)propanamide is CC(Sc1ccc(Br)cc1)C(=O)NC1=NCCS1.
What is the InChIKey of 2-(4-bromophenyl)sulfanyl-N-(4,5-dihydro-1,3-thiazol-2-yl)propanamide?
The InChIKey is GGPNLTRJNIQRET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2OS2/c1-8(11(16)15-12-14-6-7-17-12)18-10-4-2-9(13)3-5-10/h2-5,8H,6-7H2,1H3,(H,14,15,16).
What are the key properties of 2-(4-bromophenyl)sulfanyl-N-(4,5-dihydro-1,3-thiazol-2-yl)propanamide?
2-(4-bromophenyl)sulfanyl-N-(4,5-dihydro-1,3-thiazol-2-yl)propanamide has a molecular weight of 345.29 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)sulfanyl-N-(4,5-dihydro-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 47265585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).