N-[4-[(4-bromophenyl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide

C19H17BrN2OS2 — CID 16527835

IUPACN-[4-[(4-bromophenyl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide
SMILESCC(=O)N(c1cccc(C)c1)c1nc(CSc2ccc(Br)cc2)cs1
InChIInChI=1S/C19H17BrN2OS2/c1-13-4-3-5-17(10-13)22(14(2)23)19-21-16(12-25-19)11-24-18-8-6-15(20)7-9-18/h3-10,12H,11H2,1-2H3
InChIKeyJVZOZAWSMVQWFD-UHFFFAOYSA-N
MW433.40 g/mol
LogP6.19
Rot. Bonds5

About N-[4-[(4-bromophenyl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide

N-[4-[(4-bromophenyl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide (PubChem CID 16527835) has the molecular formula C19H17BrN2OS2 and a molecular weight of 433.40 g/mol. Its IUPAC name is N-[4-[(4-bromophenyl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[4-[(4-bromophenyl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide
PubChem CID16527835
Molecular FormulaC19H17BrN2OS2
Molecular Weight433.40 g/mol
Exact Mass432.00
IUPAC NameN-[4-[(4-bromophenyl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide
SMILESCC(=O)N(c1cccc(C)c1)c1nc(CSc2ccc(Br)cc2)cs1
InChIInChI=1S/C19H17BrN2OS2/c1-13-4-3-5-17(10-13)22(14(2)23)19-21-16(12-25-19)11-24-18-8-6-15(20)7-9-18/h3-10,12H,11H2,1-2H3
InChIKeyJVZOZAWSMVQWFD-UHFFFAOYSA-N
XLogP6.19
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.40
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[3-[(4-bromophenyl)sulfonylamino]phenyl]-1,3-thiazol-2-yl]acetamide
CID 126508506
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-chloro-N-(3,5-dimethylphenyl)acetamide
CID 3857136
N-[4-(benzylsulfanylmethyl)-1,3-thiazol-2-yl]-N-(2-fluorophenyl)acetamide
CID 16596258
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-N-(3,5-dimethylphenyl)-2-fluoroprop-2-enamide
CID 167475180
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-chloro-N-(3,5-dimethylphenyl)-2-fluoroacetamide
CID 167475188
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-N-(3,5-dimethylphenyl)-2-fluoroacetamide
CID 172157983
N-[4-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]phenyl]acetamide
CID 2230878
(E)-3-(3-fluorophenyl)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylprop-2-enamide
CID 2671900
(E)-3-(4-fluorophenyl)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylprop-2-enamide
CID 2671904
3-(3-fluorophenyl)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylprop-2-enamide
CID 4812506
N-[4-[(2-fluorophenyl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 4823804
N-(3,4-dimethylphenyl)-N-[4-[(2-fluorophenyl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
CID 4859034

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-bromophenyl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide?
The IUPAC name of N-[4-[(4-bromophenyl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide (CID 16527835) is N-[4-[(4-bromophenyl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide.
What is the SMILES notation for N-[4-[(4-bromophenyl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide?
The canonical SMILES for N-[4-[(4-bromophenyl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide is CC(=O)N(c1cccc(C)c1)c1nc(CSc2ccc(Br)cc2)cs1.
What is the InChIKey of N-[4-[(4-bromophenyl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide?
The InChIKey is JVZOZAWSMVQWFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN2OS2/c1-13-4-3-5-17(10-13)22(14(2)23)19-21-16(12-25-19)11-24-18-8-6-15(20)7-9-18/h3-10,12H,11H2,1-2H3.
What are the key properties of N-[4-[(4-bromophenyl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide?
N-[4-[(4-bromophenyl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide has a molecular weight of 433.40 g/mol, XLogP of 6.19, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-bromophenyl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 16527835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).