5-bromo-N-methyl-N-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]thiophene-2-carboxamide

C10H9BrN4O2S2 — CID 47278626

IUPAC5-bromo-N-methyl-N-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]thiophene-2-carboxamide
SMILESCN(CC(=O)Nc1nncs1)C(=O)c1ccc(Br)s1
InChIInChI=1S/C10H9BrN4O2S2/c1-15(9(17)6-2-3-7(11)19-6)4-8(16)13-10-14-12-5-18-10/h2-3,5H,4H2,1H3,(H,13,14,16)
InChIKeyYRJIPCBGFIIWNH-UHFFFAOYSA-N
MW361.25 g/mol
LogP2.07
Rot. Bonds4

About 5-bromo-N-methyl-N-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]thiophene-2-carboxamide

5-bromo-N-methyl-N-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]thiophene-2-carboxamide (PubChem CID 47278626) has the molecular formula C10H9BrN4O2S2 and a molecular weight of 361.25 g/mol. Its IUPAC name is 5-bromo-N-methyl-N-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-methyl-N-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]thiophene-2-carboxamide
PubChem CID47278626
Molecular FormulaC10H9BrN4O2S2
Molecular Weight361.25 g/mol
Exact Mass359.94
IUPAC Name5-bromo-N-methyl-N-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]thiophene-2-carboxamide
SMILESCN(CC(=O)Nc1nncs1)C(=O)c1ccc(Br)s1
InChIInChI=1S/C10H9BrN4O2S2/c1-15(9(17)6-2-3-7(11)19-6)4-8(16)13-10-14-12-5-18-10/h2-3,5H,4H2,1H3,(H,13,14,16)
InChIKeyYRJIPCBGFIIWNH-UHFFFAOYSA-N
XLogP2.07
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.25
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methyl-N-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-methyl-N-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]thiophene-2-carboxamide (CID 47278626) is 5-bromo-N-methyl-N-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-methyl-N-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-methyl-N-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]thiophene-2-carboxamide is CN(CC(=O)Nc1nncs1)C(=O)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-methyl-N-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]thiophene-2-carboxamide?
The InChIKey is YRJIPCBGFIIWNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN4O2S2/c1-15(9(17)6-2-3-7(11)19-6)4-8(16)13-10-14-12-5-18-10/h2-3,5H,4H2,1H3,(H,13,14,16).
What are the key properties of 5-bromo-N-methyl-N-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]thiophene-2-carboxamide?
5-bromo-N-methyl-N-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]thiophene-2-carboxamide has a molecular weight of 361.25 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-methyl-N-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 47278626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).