N-[(5-bromothiophen-3-yl)methyl]thiadiazole-4-carboxamide

C8H6BrN3OS2 — CID 47329110

IUPACN-[(5-bromothiophen-3-yl)methyl]thiadiazole-4-carboxamide
SMILESO=C(NCc1csc(Br)c1)c1csnn1
InChIInChI=1S/C8H6BrN3OS2/c9-7-1-5(3-14-7)2-10-8(13)6-4-15-12-11-6/h1,3-4H,2H2,(H,10,13)
InChIKeyNEGRDSDPCVUEHP-UHFFFAOYSA-N
MW304.19 g/mol
LogP2.29
Rot. Bonds3

About N-[(5-bromothiophen-3-yl)methyl]thiadiazole-4-carboxamide

N-[(5-bromothiophen-3-yl)methyl]thiadiazole-4-carboxamide (PubChem CID 47329110) has the molecular formula C8H6BrN3OS2 and a molecular weight of 304.19 g/mol. Its IUPAC name is N-[(5-bromothiophen-3-yl)methyl]thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(5-bromothiophen-3-yl)methyl]thiadiazole-4-carboxamide
PubChem CID47329110
Molecular FormulaC8H6BrN3OS2
Molecular Weight304.19 g/mol
Exact Mass302.91
IUPAC NameN-[(5-bromothiophen-3-yl)methyl]thiadiazole-4-carboxamide
SMILESO=C(NCc1csc(Br)c1)c1csnn1
InChIInChI=1S/C8H6BrN3OS2/c9-7-1-5(3-14-7)2-10-8(13)6-4-15-12-11-6/h1,3-4H,2H2,(H,10,13)
InChIKeyNEGRDSDPCVUEHP-UHFFFAOYSA-N
XLogP2.29
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.19
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-bromothiophen-2-yl)methyl]thiadiazole-4-carboxamide
CID 47352361
N-[(5-bromothiophen-3-yl)methyl]-1,3-thiazole-4-carboxamide
CID 130948300
N-[(5-bromothiophen-3-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 38637755
N-(1H-pyrazol-4-ylmethyl)thiadiazole-4-carboxamide
CID 65215949
4-[(thiadiazole-4-carbonylamino)methyl]benzoic acid
CID 62033869
N-[(5-bromothiophen-3-yl)methyl]thiophene-3-carboxamide
CID 47183552
N-[(5-bromothiophen-3-yl)methyl]-2-methylpropanamide
CID 131134392
N-[[3-(pyridine-2-carbonylamino)phenyl]methyl]thiadiazole-4-carboxamide
CID 166190967
5-bromo-N-[(5-bromothiophen-3-yl)methyl]pentanamide
CID 141389322
N-[[4-(4-chlorophenoxy)phenyl]methyl]thiadiazole-4-carboxamide
CID 73254131
5-bromo-N-(pyridin-4-ylmethyl)thiophene-3-carboxamide
CID 43424452
N-(2-sulfamoylethyl)thiadiazole-4-carboxamide
CID 65215862

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-3-yl)methyl]thiadiazole-4-carboxamide?
The IUPAC name of N-[(5-bromothiophen-3-yl)methyl]thiadiazole-4-carboxamide (CID 47329110) is N-[(5-bromothiophen-3-yl)methyl]thiadiazole-4-carboxamide.
What is the SMILES notation for N-[(5-bromothiophen-3-yl)methyl]thiadiazole-4-carboxamide?
The canonical SMILES for N-[(5-bromothiophen-3-yl)methyl]thiadiazole-4-carboxamide is O=C(NCc1csc(Br)c1)c1csnn1.
What is the InChIKey of N-[(5-bromothiophen-3-yl)methyl]thiadiazole-4-carboxamide?
The InChIKey is NEGRDSDPCVUEHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrN3OS2/c9-7-1-5(3-14-7)2-10-8(13)6-4-15-12-11-6/h1,3-4H,2H2,(H,10,13).
What are the key properties of N-[(5-bromothiophen-3-yl)methyl]thiadiazole-4-carboxamide?
N-[(5-bromothiophen-3-yl)methyl]thiadiazole-4-carboxamide has a molecular weight of 304.19 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-3-yl)methyl]thiadiazole-4-carboxamide is sourced from PubChem (CID 47329110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).