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

C10H10N4O2S3 — CID 54507195

IUPACN-[5-[(2-acetamido-1,3-thiazol-5-yl)sulfanyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(Sc2cnc(NC(C)=O)s2)s1
InChIInChI=1S/C10H10N4O2S3/c1-5(15)13-9-11-3-7(18-9)17-8-4-12-10(19-8)14-6(2)16/h3-4H,1-2H3,(H,11,13,15)(H,12,14,16)
InChIKeyYGNWAFJFSWHUIN-UHFFFAOYSA-N
MW314.42 g/mol
LogP2.67
Rot. Bonds4

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

N-[5-[(2-acetamido-1,3-thiazol-5-yl)sulfanyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 54507195) has the molecular formula C10H10N4O2S3 and a molecular weight of 314.42 g/mol. Its IUPAC name is N-[5-[(2-acetamido-1,3-thiazol-5-yl)sulfanyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[(2-acetamido-1,3-thiazol-5-yl)sulfanyl]-1,3-thiazol-2-yl]acetamide
PubChem CID54507195
Molecular FormulaC10H10N4O2S3
Molecular Weight314.42 g/mol
Exact Mass314.00
IUPAC NameN-[5-[(2-acetamido-1,3-thiazol-5-yl)sulfanyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(Sc2cnc(NC(C)=O)s2)s1
InChIInChI=1S/C10H10N4O2S3/c1-5(15)13-9-11-3-7(18-9)17-8-4-12-10(19-8)14-6(2)16/h3-4H,1-2H3,(H,11,13,15)(H,12,14,16)
InChIKeyYGNWAFJFSWHUIN-UHFFFAOYSA-N
XLogP2.67
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.42
LogP ≤ 52.67
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-5-yl)sulfanyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[(2-acetamido-1,3-thiazol-5-yl)sulfanyl]-1,3-thiazol-2-yl]acetamide (CID 54507195) is N-[5-[(2-acetamido-1,3-thiazol-5-yl)sulfanyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[(2-acetamido-1,3-thiazol-5-yl)sulfanyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[(2-acetamido-1,3-thiazol-5-yl)sulfanyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1ncc(Sc2cnc(NC(C)=O)s2)s1.
What is the InChIKey of N-[5-[(2-acetamido-1,3-thiazol-5-yl)sulfanyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is YGNWAFJFSWHUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2S3/c1-5(15)13-9-11-3-7(18-9)17-8-4-12-10(19-8)14-6(2)16/h3-4H,1-2H3,(H,11,13,15)(H,12,14,16).
What are the key properties of N-[5-[(2-acetamido-1,3-thiazol-5-yl)sulfanyl]-1,3-thiazol-2-yl]acetamide?
N-[5-[(2-acetamido-1,3-thiazol-5-yl)sulfanyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 314.42 g/mol, XLogP of 2.67, 4 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-5-yl)sulfanyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 54507195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).