N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide

C18H19N3O2S2 — CID 55782975

IUPACN-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide
SMILESCCc1nc(NC(=O)c2ccccc2SCc2cc(C)no2)sc1C
InChIInChI=1S/C18H19N3O2S2/c1-4-15-12(3)25-18(19-15)20-17(22)14-7-5-6-8-16(14)24-10-13-9-11(2)21-23-13/h5-9H,4,10H2,1-3H3,(H,19,20,22)
InChIKeyXYNVRLYNKVOIKX-UHFFFAOYSA-N
MW373.50 g/mol
LogP4.85
Rot. Bonds6

About N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide

N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide (PubChem CID 55782975) has the molecular formula C18H19N3O2S2 and a molecular weight of 373.50 g/mol. Its IUPAC name is N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide.

Molecular Properties

Compound NameN-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide
PubChem CID55782975
Molecular FormulaC18H19N3O2S2
Molecular Weight373.50 g/mol
Exact Mass373.09
IUPAC NameN-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide
SMILESCCc1nc(NC(=O)c2ccccc2SCc2cc(C)no2)sc1C
InChIInChI=1S/C18H19N3O2S2/c1-4-15-12(3)25-18(19-15)20-17(22)14-7-5-6-8-16(14)24-10-13-9-11(2)21-23-13/h5-9H,4,10H2,1-3H3,(H,19,20,22)
InChIKeyXYNVRLYNKVOIKX-UHFFFAOYSA-N
XLogP4.85
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 55432910
N-[5-(cyanomethylsulfanyl)-4-methyl-1,3-thiazol-2-yl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide
CID 55788251
2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-N-[5-(thiophen-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 55434316
N-(4-bromophenyl)-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide
CID 55433932
2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-N-(3-methylphenyl)benzamide
CID 51246069
2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 55433955
N-(4-amino-3,5-dichlorophenyl)-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide
CID 55522562
N-(1-hydroxypropan-2-yl)-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide
CID 110887316
2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 55867348
N-(3,4-dimethoxyphenyl)-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide
CID 51246259
N-(3,3-diphenylpropyl)-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide
CID 134030247
N-[4-(difluoromethoxy)phenyl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide
CID 51246337

Frequently Asked Questions

What is the IUPAC name of N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide?
The IUPAC name of N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide (CID 55782975) is N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide.
What is the SMILES notation for N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide?
The canonical SMILES for N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide is CCc1nc(NC(=O)c2ccccc2SCc2cc(C)no2)sc1C.
What is the InChIKey of N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide?
The InChIKey is XYNVRLYNKVOIKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S2/c1-4-15-12(3)25-18(19-15)20-17(22)14-7-5-6-8-16(14)24-10-13-9-11(2)21-23-13/h5-9H,4,10H2,1-3H3,(H,19,20,22).
What are the key properties of N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide?
N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide has a molecular weight of 373.50 g/mol, XLogP of 4.85, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide is sourced from PubChem (CID 55782975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).