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

C17H21N5O2S2 — CID 22970883

IUPACN-[5-[[5-(2,2-dimethylpropyl)-1,3-oxazol-2-yl]methylsulfanyl]-1,3-thiazol-2-yl]-2-(1H-imidazol-5-yl)acetamide
SMILESCC(C)(C)Cc1cnc(CSc2cnc(NC(=O)Cc3cnc[nH]3)s2)o1
InChIInChI=1S/C17H21N5O2S2/c1-17(2,3)5-12-7-19-14(24-12)9-25-15-8-20-16(26-15)22-13(23)4-11-6-18-10-21-11/h6-8,10H,4-5,9H2,1-3H3,(H,18,21)(H,20,22,23)
InChIKeyRNGJYJLOSVVQIJ-UHFFFAOYSA-N
MW391.52 g/mol
LogP3.92
Rot. Bonds7

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

N-[5-[[5-(2,2-dimethylpropyl)-1,3-oxazol-2-yl]methylsulfanyl]-1,3-thiazol-2-yl]-2-(1H-imidazol-5-yl)acetamide (PubChem CID 22970883) has the molecular formula C17H21N5O2S2 and a molecular weight of 391.52 g/mol. Its IUPAC name is N-[5-[[5-(2,2-dimethylpropyl)-1,3-oxazol-2-yl]methylsulfanyl]-1,3-thiazol-2-yl]-2-(1H-imidazol-5-yl)acetamide.

Molecular Properties

Compound NameN-[5-[[5-(2,2-dimethylpropyl)-1,3-oxazol-2-yl]methylsulfanyl]-1,3-thiazol-2-yl]-2-(1H-imidazol-5-yl)acetamide
PubChem CID22970883
Molecular FormulaC17H21N5O2S2
Molecular Weight391.52 g/mol
Exact Mass391.11
IUPAC NameN-[5-[[5-(2,2-dimethylpropyl)-1,3-oxazol-2-yl]methylsulfanyl]-1,3-thiazol-2-yl]-2-(1H-imidazol-5-yl)acetamide
SMILESCC(C)(C)Cc1cnc(CSc2cnc(NC(=O)Cc3cnc[nH]3)s2)o1
InChIInChI=1S/C17H21N5O2S2/c1-17(2,3)5-12-7-19-14(24-12)9-25-15-8-20-16(26-15)22-13(23)4-11-6-18-10-21-11/h6-8,10H,4-5,9H2,1-3H3,(H,18,21)(H,20,22,23)
InChIKeyRNGJYJLOSVVQIJ-UHFFFAOYSA-N
XLogP3.92
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-[[5-(2,2-dimethylpropyl)-1,3-oxazol-2-yl]methylsulfanyl]-1,3-thiazol-2-yl]-2-(1H-imidazol-5-yl)acetamide?
The IUPAC name of N-[5-[[5-(2,2-dimethylpropyl)-1,3-oxazol-2-yl]methylsulfanyl]-1,3-thiazol-2-yl]-2-(1H-imidazol-5-yl)acetamide (CID 22970883) is N-[5-[[5-(2,2-dimethylpropyl)-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-(2,2-dimethylpropyl)-1,3-oxazol-2-yl]methylsulfanyl]-1,3-thiazol-2-yl]-2-(1H-imidazol-5-yl)acetamide?
The canonical SMILES for N-[5-[[5-(2,2-dimethylpropyl)-1,3-oxazol-2-yl]methylsulfanyl]-1,3-thiazol-2-yl]-2-(1H-imidazol-5-yl)acetamide is CC(C)(C)Cc1cnc(CSc2cnc(NC(=O)Cc3cnc[nH]3)s2)o1.
What is the InChIKey of N-[5-[[5-(2,2-dimethylpropyl)-1,3-oxazol-2-yl]methylsulfanyl]-1,3-thiazol-2-yl]-2-(1H-imidazol-5-yl)acetamide?
The InChIKey is RNGJYJLOSVVQIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2S2/c1-17(2,3)5-12-7-19-14(24-12)9-25-15-8-20-16(26-15)22-13(23)4-11-6-18-10-21-11/h6-8,10H,4-5,9H2,1-3H3,(H,18,21)(H,20,22,23).
What are the key properties of N-[5-[[5-(2,2-dimethylpropyl)-1,3-oxazol-2-yl]methylsulfanyl]-1,3-thiazol-2-yl]-2-(1H-imidazol-5-yl)acetamide?
N-[5-[[5-(2,2-dimethylpropyl)-1,3-oxazol-2-yl]methylsulfanyl]-1,3-thiazol-2-yl]-2-(1H-imidazol-5-yl)acetamide has a molecular weight of 391.52 g/mol, XLogP of 3.92, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[5-(2,2-dimethylpropyl)-1,3-oxazol-2-yl]methylsulfanyl]-1,3-thiazol-2-yl]-2-(1H-imidazol-5-yl)acetamide is sourced from PubChem (CID 22970883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).