N-(3-bromophenyl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)benzamide

C17H15BrN2OS2 — CID 8713840

IUPACN-(3-bromophenyl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)benzamide
SMILESO=C(Nc1cccc(Br)c1)c1ccccc1CSC1=NCCS1
InChIInChI=1S/C17H15BrN2OS2/c18-13-5-3-6-14(10-13)20-16(21)15-7-2-1-4-12(15)11-23-17-19-8-9-22-17/h1-7,10H,8-9,11H2,(H,20,21)
InChIKeyFVRSXTLFGSWPPE-UHFFFAOYSA-N
MW407.36 g/mol
LogP5.04
Rot. Bonds4

About N-(3-bromophenyl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)benzamide

N-(3-bromophenyl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)benzamide (PubChem CID 8713840) has the molecular formula C17H15BrN2OS2 and a molecular weight of 407.36 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)benzamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)benzamide
PubChem CID8713840
Molecular FormulaC17H15BrN2OS2
Molecular Weight407.36 g/mol
Exact Mass405.98
IUPAC NameN-(3-bromophenyl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)benzamide
SMILESO=C(Nc1cccc(Br)c1)c1ccccc1CSC1=NCCS1
InChIInChI=1S/C17H15BrN2OS2/c18-13-5-3-6-14(10-13)20-16(21)15-7-2-1-4-12(15)11-23-17-19-8-9-22-17/h1-7,10H,8-9,11H2,(H,20,21)
InChIKeyFVRSXTLFGSWPPE-UHFFFAOYSA-N
XLogP5.04
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.36
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-N-(2-phenylpyrimidin-5-yl)benzamide
CID 112803520
N-[1-(4-bromophenyl)ethyl]-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)benzamide
CID 112761890
N-(1,3-benzothiazol-2-yl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)benzamide
CID 8882245
N-(3-bromophenyl)-2-(pyridin-4-ylmethylsulfanyl)benzamide
CID 23093858
N-[2-(4-chlorophenyl)ethyl]-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)benzamide
CID 112789136
[2-(carbamoylamino)-2-oxoethyl] 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)benzoate
CID 7805207
N-[2-(diethylamino)-2-phenylethyl]-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)benzamide
CID 112765000
N-[1-(2,4-dichlorophenyl)ethyl]-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)benzamide
CID 112793420
3-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-N-(3-methylphenyl)-1-benzofuran-2-carboxamide
CID 8871580
(4-methoxycarbonylphenyl) 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)benzoate
CID 8961251
[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)benzoate
CID 7805245
[4-(3-chlorophenyl)piperazin-1-yl]-[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)phenyl]methanone
CID 112768153

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)benzamide?
The IUPAC name of N-(3-bromophenyl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)benzamide (CID 8713840) is N-(3-bromophenyl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)benzamide.
What is the SMILES notation for N-(3-bromophenyl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)benzamide?
The canonical SMILES for N-(3-bromophenyl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)benzamide is O=C(Nc1cccc(Br)c1)c1ccccc1CSC1=NCCS1.
What is the InChIKey of N-(3-bromophenyl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)benzamide?
The InChIKey is FVRSXTLFGSWPPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2OS2/c18-13-5-3-6-14(10-13)20-16(21)15-7-2-1-4-12(15)11-23-17-19-8-9-22-17/h1-7,10H,8-9,11H2,(H,20,21).
What are the key properties of N-(3-bromophenyl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)benzamide?
N-(3-bromophenyl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)benzamide has a molecular weight of 407.36 g/mol, XLogP of 5.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)benzamide is sourced from PubChem (CID 8713840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).