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

C15H17N5O2S3 — CID 22970913

IUPAC2-(2-amino-1,3-thiazol-4-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)Cc3csc(N)n3)s2)o1
InChIInChI=1S/C15H17N5O2S3/c1-8(2)10-4-17-12(22-10)7-23-13-5-18-15(25-13)20-11(21)3-9-6-24-14(16)19-9/h4-6,8H,3,7H2,1-2H3,(H2,16,19)(H,18,20,21)
InChIKeyJYBMIJPLDPPRIK-UHFFFAOYSA-N
MW395.54 g/mol
LogP3.77
Rot. Bonds7

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

2-(2-amino-1,3-thiazol-4-yl)-N-[5-[(5-propan-2-yl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 22970913) has the molecular formula C15H17N5O2S3 and a molecular weight of 395.54 g/mol. Its IUPAC name is 2-(2-amino-1,3-thiazol-4-yl)-N-[5-[(5-propan-2-yl-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-propan-2-yl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide
PubChem CID22970913
Molecular FormulaC15H17N5O2S3
Molecular Weight395.54 g/mol
Exact Mass395.05
IUPAC Name2-(2-amino-1,3-thiazol-4-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)Cc3csc(N)n3)s2)o1
InChIInChI=1S/C15H17N5O2S3/c1-8(2)10-4-17-12(22-10)7-23-13-5-18-15(25-13)20-11(21)3-9-6-24-14(16)19-9/h4-6,8H,3,7H2,1-2H3,(H2,16,19)(H,18,20,21)
InChIKeyJYBMIJPLDPPRIK-UHFFFAOYSA-N
XLogP3.77
TPSA106.93 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.54
LogP ≤ 53.77
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-propan-2-yl-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-propan-2-yl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide (CID 22970913) is 2-(2-amino-1,3-thiazol-4-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-(2-amino-1,3-thiazol-4-yl)-N-[5-[(5-propan-2-yl-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-propan-2-yl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide is CC(C)c1cnc(CSc2cnc(NC(=O)Cc3csc(N)n3)s2)o1.
What is the InChIKey of 2-(2-amino-1,3-thiazol-4-yl)-N-[5-[(5-propan-2-yl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is JYBMIJPLDPPRIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2S3/c1-8(2)10-4-17-12(22-10)7-23-13-5-18-15(25-13)20-11(21)3-9-6-24-14(16)19-9/h4-6,8H,3,7H2,1-2H3,(H2,16,19)(H,18,20,21).
What are the key properties of 2-(2-amino-1,3-thiazol-4-yl)-N-[5-[(5-propan-2-yl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide?
2-(2-amino-1,3-thiazol-4-yl)-N-[5-[(5-propan-2-yl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 395.54 g/mol, XLogP of 3.77, 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-propan-2-yl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 22970913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).