N-[3-acetyl-2-(5-bromothiophen-2-yl)-2H-1,3,4-thiadiazol-5-yl]acetamide

C10H10BrN3O2S2 — CID 4918993

IUPACN-[3-acetyl-2-(5-bromothiophen-2-yl)-2H-1,3,4-thiadiazol-5-yl]acetamide
SMILESCC(=O)NC1=NN(C(C)=O)C(c2ccc(Br)s2)S1
InChIInChI=1S/C10H10BrN3O2S2/c1-5(15)12-10-13-14(6(2)16)9(18-10)7-3-4-8(11)17-7/h3-4,9H,1-2H3,(H,12,13,15)
InChIKeyIPUYJVCRPUFTJH-UHFFFAOYSA-N
MW348.25 g/mol
LogP2.51
Rot. Bonds1

About N-[3-acetyl-2-(5-bromothiophen-2-yl)-2H-1,3,4-thiadiazol-5-yl]acetamide

N-[3-acetyl-2-(5-bromothiophen-2-yl)-2H-1,3,4-thiadiazol-5-yl]acetamide (PubChem CID 4918993) has the molecular formula C10H10BrN3O2S2 and a molecular weight of 348.25 g/mol. Its IUPAC name is N-[3-acetyl-2-(5-bromothiophen-2-yl)-2H-1,3,4-thiadiazol-5-yl]acetamide.

Molecular Properties

Compound NameN-[3-acetyl-2-(5-bromothiophen-2-yl)-2H-1,3,4-thiadiazol-5-yl]acetamide
PubChem CID4918993
Molecular FormulaC10H10BrN3O2S2
Molecular Weight348.25 g/mol
Exact Mass346.94
IUPAC NameN-[3-acetyl-2-(5-bromothiophen-2-yl)-2H-1,3,4-thiadiazol-5-yl]acetamide
SMILESCC(=O)NC1=NN(C(C)=O)C(c2ccc(Br)s2)S1
InChIInChI=1S/C10H10BrN3O2S2/c1-5(15)12-10-13-14(6(2)16)9(18-10)7-3-4-8(11)17-7/h3-4,9H,1-2H3,(H,12,13,15)
InChIKeyIPUYJVCRPUFTJH-UHFFFAOYSA-N
XLogP2.51
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.25
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-acetyl-2-(5-bromothiophen-2-yl)-2H-1,3,4-thiadiazol-5-yl]acetamide?
The IUPAC name of N-[3-acetyl-2-(5-bromothiophen-2-yl)-2H-1,3,4-thiadiazol-5-yl]acetamide (CID 4918993) is N-[3-acetyl-2-(5-bromothiophen-2-yl)-2H-1,3,4-thiadiazol-5-yl]acetamide.
What is the SMILES notation for N-[3-acetyl-2-(5-bromothiophen-2-yl)-2H-1,3,4-thiadiazol-5-yl]acetamide?
The canonical SMILES for N-[3-acetyl-2-(5-bromothiophen-2-yl)-2H-1,3,4-thiadiazol-5-yl]acetamide is CC(=O)NC1=NN(C(C)=O)C(c2ccc(Br)s2)S1.
What is the InChIKey of N-[3-acetyl-2-(5-bromothiophen-2-yl)-2H-1,3,4-thiadiazol-5-yl]acetamide?
The InChIKey is IPUYJVCRPUFTJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3O2S2/c1-5(15)12-10-13-14(6(2)16)9(18-10)7-3-4-8(11)17-7/h3-4,9H,1-2H3,(H,12,13,15).
What are the key properties of N-[3-acetyl-2-(5-bromothiophen-2-yl)-2H-1,3,4-thiadiazol-5-yl]acetamide?
N-[3-acetyl-2-(5-bromothiophen-2-yl)-2H-1,3,4-thiadiazol-5-yl]acetamide has a molecular weight of 348.25 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-acetyl-2-(5-bromothiophen-2-yl)-2H-1,3,4-thiadiazol-5-yl]acetamide is sourced from PubChem (CID 4918993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).