2-benzylsulfanyl-N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]acetamide

C19H17BrN2OS2 — CID 23992686

IUPAC2-benzylsulfanyl-N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]acetamide
SMILESO=C(CSCc1ccccc1)Nc1ncc(Cc2ccc(Br)cc2)s1
InChIInChI=1S/C19H17BrN2OS2/c20-16-8-6-14(7-9-16)10-17-11-21-19(25-17)22-18(23)13-24-12-15-4-2-1-3-5-15/h1-9,11H,10,12-13H2,(H,21,22,23)
InChIKeyNFCQZYCJXQGBGS-UHFFFAOYSA-N
MW433.40 g/mol
LogP5.37
Rot. Bonds7

About 2-benzylsulfanyl-N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]acetamide

2-benzylsulfanyl-N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 23992686) has the molecular formula C19H17BrN2OS2 and a molecular weight of 433.40 g/mol. Its IUPAC name is 2-benzylsulfanyl-N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-benzylsulfanyl-N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID23992686
Molecular FormulaC19H17BrN2OS2
Molecular Weight433.40 g/mol
Exact Mass432.00
IUPAC Name2-benzylsulfanyl-N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]acetamide
SMILESO=C(CSCc1ccccc1)Nc1ncc(Cc2ccc(Br)cc2)s1
InChIInChI=1S/C19H17BrN2OS2/c20-16-8-6-14(7-9-16)10-17-11-21-19(25-17)22-18(23)13-24-12-15-4-2-1-3-5-15/h1-9,11H,10,12-13H2,(H,21,22,23)
InChIKeyNFCQZYCJXQGBGS-UHFFFAOYSA-N
XLogP5.37
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.40
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-benzylsulfanyl-N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-benzylsulfanyl-N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 23854688
(2S)-2-[2-[(5-benzyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanyl-3-(4-bromophenyl)propanoic acid
CID 2147674
2-[2-[(5-benzyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide
CID 31484325
2-bromo-N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-3-phenylpropanamide
CID 17015927
N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-3-methylsulfanylpropanamide
CID 18164840
4-[(5-benzyl-1,3-thiazol-2-yl)amino]-4-oxobutanoic acid
CID 27407164
N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-methoxyphenoxy)acetamide
CID 1113630
N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetamide
CID 24586440
N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide
CID 24603739
N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-[(4-oxo-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
CID 3298272
N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-3-(propan-2-ylamino)propanamide
CID 166226064
N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-(4-chlorophenoxy)acetamide
CID 2130446

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-benzylsulfanyl-N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]acetamide (CID 23992686) is 2-benzylsulfanyl-N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-benzylsulfanyl-N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-benzylsulfanyl-N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]acetamide is O=C(CSCc1ccccc1)Nc1ncc(Cc2ccc(Br)cc2)s1.
What is the InChIKey of 2-benzylsulfanyl-N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is NFCQZYCJXQGBGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN2OS2/c20-16-8-6-14(7-9-16)10-17-11-21-19(25-17)22-18(23)13-24-12-15-4-2-1-3-5-15/h1-9,11H,10,12-13H2,(H,21,22,23).
What are the key properties of 2-benzylsulfanyl-N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]acetamide?
2-benzylsulfanyl-N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 433.40 g/mol, XLogP of 5.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 23992686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).