2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-[4-(trifluoromethoxy)phenyl]benzamide

C19H15F3N2O2S2 — CID 42030648

IUPAC2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-[4-(trifluoromethoxy)phenyl]benzamide
SMILESCc1nc(CSc2ccccc2C(=O)Nc2ccc(OC(F)(F)F)cc2)cs1
InChIInChI=1S/C19H15F3N2O2S2/c1-12-23-14(10-27-12)11-28-17-5-3-2-4-16(17)18(25)24-13-6-8-15(9-7-13)26-19(20,21)22/h2-10H,11H2,1H3,(H,24,25)
InChIKeyPOMVEUIMJFVBMB-UHFFFAOYSA-N
MW424.47 g/mol
LogP5.89
Rot. Bonds6

About 2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-[4-(trifluoromethoxy)phenyl]benzamide

2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-[4-(trifluoromethoxy)phenyl]benzamide (PubChem CID 42030648) has the molecular formula C19H15F3N2O2S2 and a molecular weight of 424.47 g/mol. Its IUPAC name is 2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-[4-(trifluoromethoxy)phenyl]benzamide.

Molecular Properties

Compound Name2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-[4-(trifluoromethoxy)phenyl]benzamide
PubChem CID42030648
Molecular FormulaC19H15F3N2O2S2
Molecular Weight424.47 g/mol
Exact Mass424.05
IUPAC Name2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-[4-(trifluoromethoxy)phenyl]benzamide
SMILESCc1nc(CSc2ccccc2C(=O)Nc2ccc(OC(F)(F)F)cc2)cs1
InChIInChI=1S/C19H15F3N2O2S2/c1-12-23-14(10-27-12)11-28-17-5-3-2-4-16(17)18(25)24-13-6-8-15(9-7-13)26-19(20,21)22/h2-10H,11H2,1H3,(H,24,25)
InChIKeyPOMVEUIMJFVBMB-UHFFFAOYSA-N
XLogP5.89
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.47
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-fluorophenyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide
CID 42030584
N-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide
CID 37491736
2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide
CID 55504077
2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 55433955
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide
CID 51489475
methyl N-[4-[[[2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoyl]amino]methyl]phenyl]carbamate
CID 55964799
N-(4-methyl-3-sulfamoylphenyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide
CID 46519402
N-ethyl-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide
CID 47140365
2-[(2-acetamido-4-pyridinyl)methylsulfanyl]-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 23150979
N-(1-hydroxypropan-2-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide
CID 78857346
N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide
CID 46512551
N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide
CID 55798569

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-[4-(trifluoromethoxy)phenyl]benzamide?
The IUPAC name of 2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-[4-(trifluoromethoxy)phenyl]benzamide (CID 42030648) is 2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-[4-(trifluoromethoxy)phenyl]benzamide.
What is the SMILES notation for 2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-[4-(trifluoromethoxy)phenyl]benzamide?
The canonical SMILES for 2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-[4-(trifluoromethoxy)phenyl]benzamide is Cc1nc(CSc2ccccc2C(=O)Nc2ccc(OC(F)(F)F)cc2)cs1.
What is the InChIKey of 2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-[4-(trifluoromethoxy)phenyl]benzamide?
The InChIKey is POMVEUIMJFVBMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N2O2S2/c1-12-23-14(10-27-12)11-28-17-5-3-2-4-16(17)18(25)24-13-6-8-15(9-7-13)26-19(20,21)22/h2-10H,11H2,1H3,(H,24,25).
What are the key properties of 2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-[4-(trifluoromethoxy)phenyl]benzamide?
2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-[4-(trifluoromethoxy)phenyl]benzamide has a molecular weight of 424.47 g/mol, XLogP of 5.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-[4-(trifluoromethoxy)phenyl]benzamide is sourced from PubChem (CID 42030648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).