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

C19H21N3O2S2 — CID 5329712

IUPACN-[5-[(2-tert-butyl-1,3-oxazol-5-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-phenylacetamide
SMILESCC(C)(C)c1ncc(CSc2cnc(NC(=O)Cc3ccccc3)s2)o1
InChIInChI=1S/C19H21N3O2S2/c1-19(2,3)17-20-10-14(24-17)12-25-16-11-21-18(26-16)22-15(23)9-13-7-5-4-6-8-13/h4-8,10-11H,9,12H2,1-3H3,(H,21,22,23)
InChIKeyRETDFEDFSXGWJW-UHFFFAOYSA-N
MW387.53 g/mol
LogP4.90
Rot. Bonds6

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

N-[5-[(2-tert-butyl-1,3-oxazol-5-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-phenylacetamide (PubChem CID 5329712) has the molecular formula C19H21N3O2S2 and a molecular weight of 387.53 g/mol. Its IUPAC name is N-[5-[(2-tert-butyl-1,3-oxazol-5-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[5-[(2-tert-butyl-1,3-oxazol-5-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-phenylacetamide
PubChem CID5329712
Molecular FormulaC19H21N3O2S2
Molecular Weight387.53 g/mol
Exact Mass387.11
IUPAC NameN-[5-[(2-tert-butyl-1,3-oxazol-5-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-phenylacetamide
SMILESCC(C)(C)c1ncc(CSc2cnc(NC(=O)Cc3ccccc3)s2)o1
InChIInChI=1S/C19H21N3O2S2/c1-19(2,3)17-20-10-14(24-17)12-25-16-11-21-18(26-16)22-15(23)9-13-7-5-4-6-8-13/h4-8,10-11H,9,12H2,1-3H3,(H,21,22,23)
InChIKeyRETDFEDFSXGWJW-UHFFFAOYSA-N
XLogP4.90
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.53
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(2-tert-butyl-1,3-oxazol-5-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-phenylacetamide?
The IUPAC name of N-[5-[(2-tert-butyl-1,3-oxazol-5-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-phenylacetamide (CID 5329712) is N-[5-[(2-tert-butyl-1,3-oxazol-5-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-phenylacetamide.
What is the SMILES notation for N-[5-[(2-tert-butyl-1,3-oxazol-5-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-phenylacetamide?
The canonical SMILES for N-[5-[(2-tert-butyl-1,3-oxazol-5-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-phenylacetamide is CC(C)(C)c1ncc(CSc2cnc(NC(=O)Cc3ccccc3)s2)o1.
What is the InChIKey of N-[5-[(2-tert-butyl-1,3-oxazol-5-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-phenylacetamide?
The InChIKey is RETDFEDFSXGWJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S2/c1-19(2,3)17-20-10-14(24-17)12-25-16-11-21-18(26-16)22-15(23)9-13-7-5-4-6-8-13/h4-8,10-11H,9,12H2,1-3H3,(H,21,22,23).
What are the key properties of N-[5-[(2-tert-butyl-1,3-oxazol-5-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-phenylacetamide?
N-[5-[(2-tert-butyl-1,3-oxazol-5-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-phenylacetamide has a molecular weight of 387.53 g/mol, XLogP of 4.90, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2-tert-butyl-1,3-oxazol-5-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-phenylacetamide is sourced from PubChem (CID 5329712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).