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

C16H19N5O2S2 — CID 22970884

IUPACN-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-(1H-imidazol-5-yl)acetamide
SMILESCC(C)(C)c1cnc(CSc2cnc(NC(=O)Cc3cnc[nH]3)s2)o1
InChIInChI=1S/C16H19N5O2S2/c1-16(2,3)11-6-18-13(23-11)8-24-14-7-19-15(25-14)21-12(22)4-10-5-17-9-20-10/h5-7,9H,4,8H2,1-3H3,(H,17,20)(H,19,21,22)
InChIKeyMOVXWTGTKSWLHY-UHFFFAOYSA-N
MW377.50 g/mol
LogP3.63
Rot. Bonds6

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

N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-(1H-imidazol-5-yl)acetamide (PubChem CID 22970884) has the molecular formula C16H19N5O2S2 and a molecular weight of 377.50 g/mol. Its IUPAC name is N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-(1H-imidazol-5-yl)acetamide.

Molecular Properties

Compound NameN-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-(1H-imidazol-5-yl)acetamide
PubChem CID22970884
Molecular FormulaC16H19N5O2S2
Molecular Weight377.50 g/mol
Exact Mass377.10
IUPAC NameN-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-(1H-imidazol-5-yl)acetamide
SMILESCC(C)(C)c1cnc(CSc2cnc(NC(=O)Cc3cnc[nH]3)s2)o1
InChIInChI=1S/C16H19N5O2S2/c1-16(2,3)11-6-18-13(23-11)8-24-14-7-19-15(25-14)21-12(22)4-10-5-17-9-20-10/h5-7,9H,4,8H2,1-3H3,(H,17,20)(H,19,21,22)
InChIKeyMOVXWTGTKSWLHY-UHFFFAOYSA-N
XLogP3.63
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.50
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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]-2-(1H-imidazol-5-yl)acetamide?
The IUPAC name of N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-(1H-imidazol-5-yl)acetamide (CID 22970884) is N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-(1H-imidazol-5-yl)acetamide.
What is the SMILES notation for N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-(1H-imidazol-5-yl)acetamide?
The canonical SMILES for N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-(1H-imidazol-5-yl)acetamide is CC(C)(C)c1cnc(CSc2cnc(NC(=O)Cc3cnc[nH]3)s2)o1.
What is the InChIKey of N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-(1H-imidazol-5-yl)acetamide?
The InChIKey is MOVXWTGTKSWLHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2S2/c1-16(2,3)11-6-18-13(23-11)8-24-14-7-19-15(25-14)21-12(22)4-10-5-17-9-20-10/h5-7,9H,4,8H2,1-3H3,(H,17,20)(H,19,21,22).
What are the key properties of N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-(1H-imidazol-5-yl)acetamide?
N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-(1H-imidazol-5-yl)acetamide has a molecular weight of 377.50 g/mol, XLogP of 3.63, 6 rotatable bonds, 2 hydrogen bond donors, and 7 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]-2-(1H-imidazol-5-yl)acetamide is sourced from PubChem (CID 22970884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).