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

C15H17N5O2S2 — CID 54121225

IUPAC2-(1H-imidazol-5-yl)-N-[5-[(5-propan-2-yl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(C)c1cnc(CSc2cnc(NC(=O)Cc3cnc[nH]3)s2)o1
InChIInChI=1S/C15H17N5O2S2/c1-9(2)11-5-17-13(22-11)7-23-14-6-18-15(24-14)20-12(21)3-10-4-16-8-19-10/h4-6,8-9H,3,7H2,1-2H3,(H,16,19)(H,18,20,21)
InChIKeyNNVBRZJJAGJAOB-UHFFFAOYSA-N
MW363.47 g/mol
LogP3.45
Rot. Bonds7

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

2-(1H-imidazol-5-yl)-N-[5-[(5-propan-2-yl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 54121225) has the molecular formula C15H17N5O2S2 and a molecular weight of 363.47 g/mol. Its IUPAC name is 2-(1H-imidazol-5-yl)-N-[5-[(5-propan-2-yl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(1H-imidazol-5-yl)-N-[5-[(5-propan-2-yl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide
PubChem CID54121225
Molecular FormulaC15H17N5O2S2
Molecular Weight363.47 g/mol
Exact Mass363.08
IUPAC Name2-(1H-imidazol-5-yl)-N-[5-[(5-propan-2-yl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(C)c1cnc(CSc2cnc(NC(=O)Cc3cnc[nH]3)s2)o1
InChIInChI=1S/C15H17N5O2S2/c1-9(2)11-5-17-13(22-11)7-23-14-6-18-15(24-14)20-12(21)3-10-4-16-8-19-10/h4-6,8-9H,3,7H2,1-2H3,(H,16,19)(H,18,20,21)
InChIKeyNNVBRZJJAGJAOB-UHFFFAOYSA-N
XLogP3.45
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-5-yl)-N-[5-[(5-propan-2-yl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(1H-imidazol-5-yl)-N-[5-[(5-propan-2-yl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide (CID 54121225) is 2-(1H-imidazol-5-yl)-N-[5-[(5-propan-2-yl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(1H-imidazol-5-yl)-N-[5-[(5-propan-2-yl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(1H-imidazol-5-yl)-N-[5-[(5-propan-2-yl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide is CC(C)c1cnc(CSc2cnc(NC(=O)Cc3cnc[nH]3)s2)o1.
What is the InChIKey of 2-(1H-imidazol-5-yl)-N-[5-[(5-propan-2-yl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is NNVBRZJJAGJAOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2S2/c1-9(2)11-5-17-13(22-11)7-23-14-6-18-15(24-14)20-12(21)3-10-4-16-8-19-10/h4-6,8-9H,3,7H2,1-2H3,(H,16,19)(H,18,20,21).
What are the key properties of 2-(1H-imidazol-5-yl)-N-[5-[(5-propan-2-yl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide?
2-(1H-imidazol-5-yl)-N-[5-[(5-propan-2-yl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 363.47 g/mol, XLogP of 3.45, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-5-yl)-N-[5-[(5-propan-2-yl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 54121225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).