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

C18H19N3O2S2 — CID 22971290

IUPACN-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2,3-dimethylbenzamide
SMILESCCc1cnc(CSc2cnc(NC(=O)c3cccc(C)c3C)s2)o1
InChIInChI=1S/C18H19N3O2S2/c1-4-13-8-19-15(23-13)10-24-16-9-20-18(25-16)21-17(22)14-7-5-6-11(2)12(14)3/h5-9H,4,10H2,1-3H3,(H,20,21,22)
InChIKeyQHGMOYPSSMCAIV-UHFFFAOYSA-N
MW373.50 g/mol
LogP4.85
Rot. Bonds6

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

N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2,3-dimethylbenzamide (PubChem CID 22971290) has the molecular formula C18H19N3O2S2 and a molecular weight of 373.50 g/mol. Its IUPAC name is N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2,3-dimethylbenzamide.

Molecular Properties

Compound NameN-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2,3-dimethylbenzamide
PubChem CID22971290
Molecular FormulaC18H19N3O2S2
Molecular Weight373.50 g/mol
Exact Mass373.09
IUPAC NameN-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2,3-dimethylbenzamide
SMILESCCc1cnc(CSc2cnc(NC(=O)c3cccc(C)c3C)s2)o1
InChIInChI=1S/C18H19N3O2S2/c1-4-13-8-19-15(23-13)10-24-16-9-20-18(25-16)21-17(22)14-7-5-6-11(2)12(14)3/h5-9H,4,10H2,1-3H3,(H,20,21,22)
InChIKeyQHGMOYPSSMCAIV-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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Frequently Asked Questions

What is the IUPAC name of N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2,3-dimethylbenzamide?
The IUPAC name of N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2,3-dimethylbenzamide (CID 22971290) is N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2,3-dimethylbenzamide.
What is the SMILES notation for N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2,3-dimethylbenzamide?
The canonical SMILES for N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2,3-dimethylbenzamide is CCc1cnc(CSc2cnc(NC(=O)c3cccc(C)c3C)s2)o1.
What is the InChIKey of N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2,3-dimethylbenzamide?
The InChIKey is QHGMOYPSSMCAIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S2/c1-4-13-8-19-15(23-13)10-24-16-9-20-18(25-16)21-17(22)14-7-5-6-11(2)12(14)3/h5-9H,4,10H2,1-3H3,(H,20,21,22).
What are the key properties of N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2,3-dimethylbenzamide?
N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2,3-dimethylbenzamide 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-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2,3-dimethylbenzamide is sourced from PubChem (CID 22971290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).