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

C9H7BrN4O3S — CID 29370156

IUPAC5-bromo-N-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]furan-2-carboxamide
SMILESO=C(CNC(=O)c1ccc(Br)o1)Nc1nncs1
InChIInChI=1S/C9H7BrN4O3S/c10-6-2-1-5(17-6)8(16)11-3-7(15)13-9-14-12-4-18-9/h1-2,4H,3H2,(H,11,16)(H,13,14,15)
InChIKeyPMTAKGXNDXPBCZ-UHFFFAOYSA-N
MW331.15 g/mol
LogP1.26
Rot. Bonds4

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

5-bromo-N-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]furan-2-carboxamide (PubChem CID 29370156) has the molecular formula C9H7BrN4O3S and a molecular weight of 331.15 g/mol. Its IUPAC name is 5-bromo-N-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]furan-2-carboxamide
PubChem CID29370156
Molecular FormulaC9H7BrN4O3S
Molecular Weight331.15 g/mol
Exact Mass329.94
IUPAC Name5-bromo-N-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]furan-2-carboxamide
SMILESO=C(CNC(=O)c1ccc(Br)o1)Nc1nncs1
InChIInChI=1S/C9H7BrN4O3S/c10-6-2-1-5(17-6)8(16)11-3-7(15)13-9-14-12-4-18-9/h1-2,4H,3H2,(H,11,16)(H,13,14,15)
InChIKeyPMTAKGXNDXPBCZ-UHFFFAOYSA-N
XLogP1.26
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.15
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]-2-phenylacetamide
CID 29370573
N-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]thiophene-2-carboxamide
CID 29370149
5-bromo-N-(2-hydrazinyl-2-oxoethyl)furan-2-carboxamide
CID 10378007
5-bromo-N-[2-[(4-naphthalen-1-yl-1,3-thiazol-2-yl)amino]-2-oxoethyl]furan-2-carboxamide
CID 60589558
5-bromo-N-[2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]furan-2-carboxamide
CID 47038570
5-bromo-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]furan-2-carboxamide
CID 7978577
5-bromo-N-[2-[[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]furan-2-carboxamide
CID 43018422
N-(4-bromophenyl)-2-(1,3,4-thiadiazol-2-ylcarbamoylamino)acetamide
CID 47257817
N-[2-(2-anilinoanilino)-2-oxoethyl]-5-bromofuran-2-carboxamide
CID 112809835
5-bromo-N-[2-[[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]furan-2-carboxamide
CID 42353416
5-bromo-N-[2-(2-methylprop-2-enylamino)-2-oxoethyl]furan-2-carboxamide
CID 114618727
5-bromo-N-[2-[[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]furan-2-carboxamide
CID 46668590

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]furan-2-carboxamide (CID 29370156) is 5-bromo-N-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]furan-2-carboxamide is O=C(CNC(=O)c1ccc(Br)o1)Nc1nncs1.
What is the InChIKey of 5-bromo-N-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]furan-2-carboxamide?
The InChIKey is PMTAKGXNDXPBCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN4O3S/c10-6-2-1-5(17-6)8(16)11-3-7(15)13-9-14-12-4-18-9/h1-2,4H,3H2,(H,11,16)(H,13,14,15).
What are the key properties of 5-bromo-N-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]furan-2-carboxamide?
5-bromo-N-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]furan-2-carboxamide has a molecular weight of 331.15 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]furan-2-carboxamide is sourced from PubChem (CID 29370156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).