2-[(5-bromothiophene-3-carbonyl)amino]-1,3-thiazole-5-carboxamide

C9H6BrN3O2S2 — CID 78852049

IUPAC2-[(5-bromothiophene-3-carbonyl)amino]-1,3-thiazole-5-carboxamide
SMILESNC(=O)c1cnc(NC(=O)c2csc(Br)c2)s1
InChIInChI=1S/C9H6BrN3O2S2/c10-6-1-4(3-16-6)8(15)13-9-12-2-5(17-9)7(11)14/h1-3H,(H2,11,14)(H,12,13,15)
InChIKeyMIKXFGAJBGUAHS-UHFFFAOYSA-N
MW332.20 g/mol
LogP2.32
Rot. Bonds3

About 2-[(5-bromothiophene-3-carbonyl)amino]-1,3-thiazole-5-carboxamide

2-[(5-bromothiophene-3-carbonyl)amino]-1,3-thiazole-5-carboxamide (PubChem CID 78852049) has the molecular formula C9H6BrN3O2S2 and a molecular weight of 332.20 g/mol. Its IUPAC name is 2-[(5-bromothiophene-3-carbonyl)amino]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[(5-bromothiophene-3-carbonyl)amino]-1,3-thiazole-5-carboxamide
PubChem CID78852049
Molecular FormulaC9H6BrN3O2S2
Molecular Weight332.20 g/mol
Exact Mass330.91
IUPAC Name2-[(5-bromothiophene-3-carbonyl)amino]-1,3-thiazole-5-carboxamide
SMILESNC(=O)c1cnc(NC(=O)c2csc(Br)c2)s1
InChIInChI=1S/C9H6BrN3O2S2/c10-6-1-4(3-16-6)8(15)13-9-12-2-5(17-9)7(11)14/h1-3H,(H2,11,14)(H,12,13,15)
InChIKeyMIKXFGAJBGUAHS-UHFFFAOYSA-N
XLogP2.32
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.20
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromothiophene-3-carbonyl)amino]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[(5-bromothiophene-3-carbonyl)amino]-1,3-thiazole-5-carboxamide (CID 78852049) is 2-[(5-bromothiophene-3-carbonyl)amino]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[(5-bromothiophene-3-carbonyl)amino]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[(5-bromothiophene-3-carbonyl)amino]-1,3-thiazole-5-carboxamide is NC(=O)c1cnc(NC(=O)c2csc(Br)c2)s1.
What is the InChIKey of 2-[(5-bromothiophene-3-carbonyl)amino]-1,3-thiazole-5-carboxamide?
The InChIKey is MIKXFGAJBGUAHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrN3O2S2/c10-6-1-4(3-16-6)8(15)13-9-12-2-5(17-9)7(11)14/h1-3H,(H2,11,14)(H,12,13,15).
What are the key properties of 2-[(5-bromothiophene-3-carbonyl)amino]-1,3-thiazole-5-carboxamide?
2-[(5-bromothiophene-3-carbonyl)amino]-1,3-thiazole-5-carboxamide has a molecular weight of 332.20 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromothiophene-3-carbonyl)amino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 78852049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).