N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]benzamide

C18H19N3O2S2 — CID 5329687

IUPACN-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]benzamide
SMILESCC(C)(C)c1cnc(CSc2cnc(NC(=O)c3ccccc3)s2)o1
InChIInChI=1S/C18H19N3O2S2/c1-18(2,3)13-9-19-14(23-13)11-24-15-10-20-17(25-15)21-16(22)12-7-5-4-6-8-12/h4-10H,11H2,1-3H3,(H,20,21,22)
InChIKeyCMNKHKYPFIVLLC-UHFFFAOYSA-N
MW373.50 g/mol
LogP4.97
Rot. Bonds5

About N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]benzamide

N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]benzamide (PubChem CID 5329687) has the molecular formula C18H19N3O2S2 and a molecular weight of 373.50 g/mol. Its IUPAC name is N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound NameN-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]benzamide
PubChem CID5329687
Molecular FormulaC18H19N3O2S2
Molecular Weight373.50 g/mol
Exact Mass373.09
IUPAC NameN-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]benzamide
SMILESCC(C)(C)c1cnc(CSc2cnc(NC(=O)c3ccccc3)s2)o1
InChIInChI=1S/C18H19N3O2S2/c1-18(2,3)13-9-19-14(23-13)11-24-15-10-20-17(25-15)21-16(22)12-7-5-4-6-8-12/h4-10H,11H2,1-3H3,(H,20,21,22)
InChIKeyCMNKHKYPFIVLLC-UHFFFAOYSA-N
XLogP4.97
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]benzamide?
The IUPAC name of N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]benzamide (CID 5329687) is N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]benzamide is CC(C)(C)c1cnc(CSc2cnc(NC(=O)c3ccccc3)s2)o1.
What is the InChIKey of N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]benzamide?
The InChIKey is CMNKHKYPFIVLLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S2/c1-18(2,3)13-9-19-14(23-13)11-24-15-10-20-17(25-15)21-16(22)12-7-5-4-6-8-12/h4-10H,11H2,1-3H3,(H,20,21,22).
What are the key properties of N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]benzamide?
N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]benzamide has a molecular weight of 373.50 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 5329687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).