N-[(4-bromothiophen-2-yl)methyl]thiadiazole-4-carboxamide

C8H6BrN3OS2 — CID 47352361

IUPACN-[(4-bromothiophen-2-yl)methyl]thiadiazole-4-carboxamide
SMILESO=C(NCc1cc(Br)cs1)c1csnn1
InChIInChI=1S/C8H6BrN3OS2/c9-5-1-6(14-3-5)2-10-8(13)7-4-15-12-11-7/h1,3-4H,2H2,(H,10,13)
InChIKeyLLVLFEXOUXXPTQ-UHFFFAOYSA-N
MW304.19 g/mol
LogP2.29
Rot. Bonds3

About N-[(4-bromothiophen-2-yl)methyl]thiadiazole-4-carboxamide

N-[(4-bromothiophen-2-yl)methyl]thiadiazole-4-carboxamide (PubChem CID 47352361) has the molecular formula C8H6BrN3OS2 and a molecular weight of 304.19 g/mol. Its IUPAC name is N-[(4-bromothiophen-2-yl)methyl]thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(4-bromothiophen-2-yl)methyl]thiadiazole-4-carboxamide
PubChem CID47352361
Molecular FormulaC8H6BrN3OS2
Molecular Weight304.19 g/mol
Exact Mass302.91
IUPAC NameN-[(4-bromothiophen-2-yl)methyl]thiadiazole-4-carboxamide
SMILESO=C(NCc1cc(Br)cs1)c1csnn1
InChIInChI=1S/C8H6BrN3OS2/c9-5-1-6(14-3-5)2-10-8(13)7-4-15-12-11-7/h1,3-4H,2H2,(H,10,13)
InChIKeyLLVLFEXOUXXPTQ-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-[(5-bromothiophen-3-yl)methyl]thiadiazole-4-carboxamide
CID 47329110
N-[(4-bromothiophen-2-yl)methyl]-2,6-dihydroxybenzamide
CID 113254483
5-bromo-N-[(4-bromothiophen-2-yl)methyl]-2-hydroxybenzamide
CID 107729654
N-[(4-bromothiophen-2-yl)methyl]-1H-pyrazole-5-carboxamide
CID 47250390
N-[(4-bromothiophen-2-yl)methyl]-2-(2-fluorophenyl)acetamide
CID 47250397
N-[(4-bromothiophen-2-yl)methyl]-1-methoxyisoquinoline-3-carboxamide
CID 71885176
N-[(4-bromothiophen-2-yl)methyl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 55972607
N-[(4-bromothiophen-2-yl)methyl]-4-sulfanylthiophene-2-carboxamide
CID 107030617
N-[(4-bromothiophen-2-yl)methyl]-2-(1H-indol-3-yl)acetamide
CID 47250258
N-[(4-bromothiophen-2-yl)methyl]-5-hydroxypyridine-3-carboxamide
CID 63930382
N-[(4-bromothiophen-2-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 47291490
1-[(4-bromothiophen-2-yl)methyl]-3-methylurea
CID 23548634

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-2-yl)methyl]thiadiazole-4-carboxamide?
The IUPAC name of N-[(4-bromothiophen-2-yl)methyl]thiadiazole-4-carboxamide (CID 47352361) is N-[(4-bromothiophen-2-yl)methyl]thiadiazole-4-carboxamide.
What is the SMILES notation for N-[(4-bromothiophen-2-yl)methyl]thiadiazole-4-carboxamide?
The canonical SMILES for N-[(4-bromothiophen-2-yl)methyl]thiadiazole-4-carboxamide is O=C(NCc1cc(Br)cs1)c1csnn1.
What is the InChIKey of N-[(4-bromothiophen-2-yl)methyl]thiadiazole-4-carboxamide?
The InChIKey is LLVLFEXOUXXPTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrN3OS2/c9-5-1-6(14-3-5)2-10-8(13)7-4-15-12-11-7/h1,3-4H,2H2,(H,10,13).
What are the key properties of N-[(4-bromothiophen-2-yl)methyl]thiadiazole-4-carboxamide?
N-[(4-bromothiophen-2-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-[(4-bromothiophen-2-yl)methyl]thiadiazole-4-carboxamide is sourced from PubChem (CID 47352361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).