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

C16H19N5O2S3 — CID 22970915

IUPAC2-(2-amino-1,3-thiazol-4-yl)-N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(C)(C)c1cnc(CSc2cnc(NC(=O)Cc3csc(N)n3)s2)o1
InChIInChI=1S/C16H19N5O2S3/c1-16(2,3)10-5-18-12(23-10)8-24-13-6-19-15(26-13)21-11(22)4-9-7-25-14(17)20-9/h5-7H,4,8H2,1-3H3,(H2,17,20)(H,19,21,22)
InChIKeyWGHVOTLXBLFRLL-UHFFFAOYSA-N
MW409.56 g/mol
LogP3.94
Rot. Bonds6

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

2-(2-amino-1,3-thiazol-4-yl)-N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 22970915) has the molecular formula C16H19N5O2S3 and a molecular weight of 409.56 g/mol. Its IUPAC name is 2-(2-amino-1,3-thiazol-4-yl)-N-[5-[(5-tert-butyl-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-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide
PubChem CID22970915
Molecular FormulaC16H19N5O2S3
Molecular Weight409.56 g/mol
Exact Mass409.07
IUPAC Name2-(2-amino-1,3-thiazol-4-yl)-N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(C)(C)c1cnc(CSc2cnc(NC(=O)Cc3csc(N)n3)s2)o1
InChIInChI=1S/C16H19N5O2S3/c1-16(2,3)10-5-18-12(23-10)8-24-13-6-19-15(26-13)21-11(22)4-9-7-25-14(17)20-9/h5-7H,4,8H2,1-3H3,(H2,17,20)(H,19,21,22)
InChIKeyWGHVOTLXBLFRLL-UHFFFAOYSA-N
XLogP3.94
TPSA106.93 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.56
LogP ≤ 53.94
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-tert-butyl-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-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide (CID 22970915) is 2-(2-amino-1,3-thiazol-4-yl)-N-[5-[(5-tert-butyl-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-tert-butyl-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-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide is CC(C)(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-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is WGHVOTLXBLFRLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2S3/c1-16(2,3)10-5-18-12(23-10)8-24-13-6-19-15(26-13)21-11(22)4-9-7-25-14(17)20-9/h5-7H,4,8H2,1-3H3,(H2,17,20)(H,19,21,22).
What are the key properties of 2-(2-amino-1,3-thiazol-4-yl)-N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide?
2-(2-amino-1,3-thiazol-4-yl)-N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 409.56 g/mol, XLogP of 3.94, 6 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-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 22970915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).