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

C11H12N4O2S3 — CID 5329701

IUPACN-[5-[(2-acetamido-1,3-thiazol-4-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(CSc2cnc(NC(C)=O)s2)cs1
InChIInChI=1S/C11H12N4O2S3/c1-6(16)13-10-12-3-9(20-10)18-4-8-5-19-11(15-8)14-7(2)17/h3,5H,4H2,1-2H3,(H,12,13,16)(H,14,15,17)
InChIKeyHBJJRZZQLQIHEU-UHFFFAOYSA-N
MW328.44 g/mol
LogP2.81
Rot. Bonds5

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

N-[5-[(2-acetamido-1,3-thiazol-4-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 5329701) has the molecular formula C11H12N4O2S3 and a molecular weight of 328.44 g/mol. Its IUPAC name is N-[5-[(2-acetamido-1,3-thiazol-4-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[(2-acetamido-1,3-thiazol-4-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide
PubChem CID5329701
Molecular FormulaC11H12N4O2S3
Molecular Weight328.44 g/mol
Exact Mass328.01
IUPAC NameN-[5-[(2-acetamido-1,3-thiazol-4-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(CSc2cnc(NC(C)=O)s2)cs1
InChIInChI=1S/C11H12N4O2S3/c1-6(16)13-10-12-3-9(20-10)18-4-8-5-19-11(15-8)14-7(2)17/h3,5H,4H2,1-2H3,(H,12,13,16)(H,14,15,17)
InChIKeyHBJJRZZQLQIHEU-UHFFFAOYSA-N
XLogP2.81
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(2-acetamido-1,3-thiazol-4-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[(2-acetamido-1,3-thiazol-4-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide (CID 5329701) is N-[5-[(2-acetamido-1,3-thiazol-4-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[(2-acetamido-1,3-thiazol-4-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[(2-acetamido-1,3-thiazol-4-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(CSc2cnc(NC(C)=O)s2)cs1.
What is the InChIKey of N-[5-[(2-acetamido-1,3-thiazol-4-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is HBJJRZZQLQIHEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2S3/c1-6(16)13-10-12-3-9(20-10)18-4-8-5-19-11(15-8)14-7(2)17/h3,5H,4H2,1-2H3,(H,12,13,16)(H,14,15,17).
What are the key properties of N-[5-[(2-acetamido-1,3-thiazol-4-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide?
N-[5-[(2-acetamido-1,3-thiazol-4-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 328.44 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2-acetamido-1,3-thiazol-4-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 5329701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).