N-[(5-bromothiophen-2-yl)methyl]thiadiazole-5-carboxamide

C8H6BrN3OS2 — CID 61032934

IUPACN-[(5-bromothiophen-2-yl)methyl]thiadiazole-5-carboxamide
SMILESO=C(NCc1ccc(Br)s1)c1cnns1
InChIInChI=1S/C8H6BrN3OS2/c9-7-2-1-5(14-7)3-10-8(13)6-4-11-12-15-6/h1-2,4H,3H2,(H,10,13)
InChIKeyNHZLDTUOTVIWAH-UHFFFAOYSA-N
MW304.19 g/mol
LogP2.29
Rot. Bonds3

About N-[(5-bromothiophen-2-yl)methyl]thiadiazole-5-carboxamide

N-[(5-bromothiophen-2-yl)methyl]thiadiazole-5-carboxamide (PubChem CID 61032934) has the molecular formula C8H6BrN3OS2 and a molecular weight of 304.19 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]thiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]thiadiazole-5-carboxamide
PubChem CID61032934
Molecular FormulaC8H6BrN3OS2
Molecular Weight304.19 g/mol
Exact Mass302.91
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]thiadiazole-5-carboxamide
SMILESO=C(NCc1ccc(Br)s1)c1cnns1
InChIInChI=1S/C8H6BrN3OS2/c9-7-2-1-5(14-7)3-10-8(13)6-4-11-12-15-6/h1-2,4H,3H2,(H,10,13)
InChIKeyNHZLDTUOTVIWAH-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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Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]thiadiazole-5-carboxamide?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]thiadiazole-5-carboxamide (CID 61032934) is N-[(5-bromothiophen-2-yl)methyl]thiadiazole-5-carboxamide.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]thiadiazole-5-carboxamide?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]thiadiazole-5-carboxamide is O=C(NCc1ccc(Br)s1)c1cnns1.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]thiadiazole-5-carboxamide?
The InChIKey is NHZLDTUOTVIWAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrN3OS2/c9-7-2-1-5(14-7)3-10-8(13)6-4-11-12-15-6/h1-2,4H,3H2,(H,10,13).
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]thiadiazole-5-carboxamide?
N-[(5-bromothiophen-2-yl)methyl]thiadiazole-5-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-2-yl)methyl]thiadiazole-5-carboxamide is sourced from PubChem (CID 61032934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).