2-(2-amino-1,3-thiazol-4-yl)-N-[5-[[5-(2,2-dimethylpropyl)-1,3-oxazol-2-yl]methylsulfanyl]-1,3-thiazol-2-yl]acetamide

C17H21N5O2S3 — CID 22970914

IUPAC2-(2-amino-1,3-thiazol-4-yl)-N-[5-[[5-(2,2-dimethylpropyl)-1,3-oxazol-2-yl]methylsulfanyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(C)(C)Cc1cnc(CSc2cnc(NC(=O)Cc3csc(N)n3)s2)o1
InChIInChI=1S/C17H21N5O2S3/c1-17(2,3)5-11-6-19-13(24-11)9-25-14-7-20-16(27-14)22-12(23)4-10-8-26-15(18)21-10/h6-8H,4-5,9H2,1-3H3,(H2,18,21)(H,20,22,23)
InChIKeyMWQRXJKSVDBWFJ-UHFFFAOYSA-N
MW423.59 g/mol
LogP4.23
Rot. Bonds7

About 2-(2-amino-1,3-thiazol-4-yl)-N-[5-[[5-(2,2-dimethylpropyl)-1,3-oxazol-2-yl]methylsulfanyl]-1,3-thiazol-2-yl]acetamide

2-(2-amino-1,3-thiazol-4-yl)-N-[5-[[5-(2,2-dimethylpropyl)-1,3-oxazol-2-yl]methylsulfanyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 22970914) has the molecular formula C17H21N5O2S3 and a molecular weight of 423.59 g/mol. Its IUPAC name is 2-(2-amino-1,3-thiazol-4-yl)-N-[5-[[5-(2,2-dimethylpropyl)-1,3-oxazol-2-yl]methylsulfanyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(2-amino-1,3-thiazol-4-yl)-N-[5-[[5-(2,2-dimethylpropyl)-1,3-oxazol-2-yl]methylsulfanyl]-1,3-thiazol-2-yl]acetamide
PubChem CID22970914
Molecular FormulaC17H21N5O2S3
Molecular Weight423.59 g/mol
Exact Mass423.09
IUPAC Name2-(2-amino-1,3-thiazol-4-yl)-N-[5-[[5-(2,2-dimethylpropyl)-1,3-oxazol-2-yl]methylsulfanyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(C)(C)Cc1cnc(CSc2cnc(NC(=O)Cc3csc(N)n3)s2)o1
InChIInChI=1S/C17H21N5O2S3/c1-17(2,3)5-11-6-19-13(24-11)9-25-14-7-20-16(27-14)22-12(23)4-10-8-26-15(18)21-10/h6-8H,4-5,9H2,1-3H3,(H2,18,21)(H,20,22,23)
InChIKeyMWQRXJKSVDBWFJ-UHFFFAOYSA-N
XLogP4.23
TPSA106.93 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.59
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-N-[5-[[5-(2,2-dimethylpropyl)-1,3-oxazol-2-yl]methylsulfanyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-N-[5-[[5-(2,2-dimethylpropyl)-1,3-oxazol-2-yl]methylsulfanyl]-1,3-thiazol-2-yl]acetamide (CID 22970914) is 2-(2-amino-1,3-thiazol-4-yl)-N-[5-[[5-(2,2-dimethylpropyl)-1,3-oxazol-2-yl]methylsulfanyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(2-amino-1,3-thiazol-4-yl)-N-[5-[[5-(2,2-dimethylpropyl)-1,3-oxazol-2-yl]methylsulfanyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(2-amino-1,3-thiazol-4-yl)-N-[5-[[5-(2,2-dimethylpropyl)-1,3-oxazol-2-yl]methylsulfanyl]-1,3-thiazol-2-yl]acetamide is CC(C)(C)Cc1cnc(CSc2cnc(NC(=O)Cc3csc(N)n3)s2)o1.
What is the InChIKey of 2-(2-amino-1,3-thiazol-4-yl)-N-[5-[[5-(2,2-dimethylpropyl)-1,3-oxazol-2-yl]methylsulfanyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is MWQRXJKSVDBWFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2S3/c1-17(2,3)5-11-6-19-13(24-11)9-25-14-7-20-16(27-14)22-12(23)4-10-8-26-15(18)21-10/h6-8H,4-5,9H2,1-3H3,(H2,18,21)(H,20,22,23).
What are the key properties of 2-(2-amino-1,3-thiazol-4-yl)-N-[5-[[5-(2,2-dimethylpropyl)-1,3-oxazol-2-yl]methylsulfanyl]-1,3-thiazol-2-yl]acetamide?
2-(2-amino-1,3-thiazol-4-yl)-N-[5-[[5-(2,2-dimethylpropyl)-1,3-oxazol-2-yl]methylsulfanyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 423.59 g/mol, XLogP of 4.23, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-1,3-thiazol-4-yl)-N-[5-[[5-(2,2-dimethylpropyl)-1,3-oxazol-2-yl]methylsulfanyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 22970914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).