5-bromo-N-(1,3-thiazol-5-ylmethyl)thiophene-2-carboxamide

C9H7BrN2OS2 — CID 104579028

IUPAC5-bromo-N-(1,3-thiazol-5-ylmethyl)thiophene-2-carboxamide
SMILESO=C(NCc1cncs1)c1ccc(Br)s1
InChIInChI=1S/C9H7BrN2OS2/c10-8-2-1-7(15-8)9(13)12-4-6-3-11-5-14-6/h1-3,5H,4H2,(H,12,13)
InChIKeySPROERBMPKHBTR-UHFFFAOYSA-N
MW303.21 g/mol
LogP2.90
Rot. Bonds3

About 5-bromo-N-(1,3-thiazol-5-ylmethyl)thiophene-2-carboxamide

5-bromo-N-(1,3-thiazol-5-ylmethyl)thiophene-2-carboxamide (PubChem CID 104579028) has the molecular formula C9H7BrN2OS2 and a molecular weight of 303.21 g/mol. Its IUPAC name is 5-bromo-N-(1,3-thiazol-5-ylmethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(1,3-thiazol-5-ylmethyl)thiophene-2-carboxamide
PubChem CID104579028
Molecular FormulaC9H7BrN2OS2
Molecular Weight303.21 g/mol
Exact Mass301.92
IUPAC Name5-bromo-N-(1,3-thiazol-5-ylmethyl)thiophene-2-carboxamide
SMILESO=C(NCc1cncs1)c1ccc(Br)s1
InChIInChI=1S/C9H7BrN2OS2/c10-8-2-1-7(15-8)9(13)12-4-6-3-11-5-14-6/h1-3,5H,4H2,(H,12,13)
InChIKeySPROERBMPKHBTR-UHFFFAOYSA-N
XLogP2.90
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.21
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-[(3-methyl-4-pyridinyl)methyl]thiophene-2-carboxamide
CID 114700584
N-[(5-bromothiophen-2-yl)methyl]-5-chlorothiophene-2-carboxamide
CID 32775594
2,4-dibromo-N-(1,3-thiazol-5-ylmethyl)benzamide
CID 104579091
5-bromo-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]thiophene-2-carboxamide
CID 104935632
3,5-dihydroxy-N-(1,3-thiazol-5-ylmethyl)benzamide
CID 104583444
5-bromo-N-[(4-carbamoylphenyl)methyl]thiophene-2-carboxamide
CID 47098883
2-hydroxy-N-(1,3-thiazol-5-ylmethyl)acetamide
CID 130927920
4-bromo-2-methoxy-N-(1,3-thiazol-5-ylmethyl)benzamide
CID 113429011
2-bromo-N-(1,3-thiazol-5-ylmethyl)-5-(trifluoromethyl)benzamide
CID 104579127
2-amino-5-bromo-N-(1,3-thiazol-5-ylmethyl)pyridine-4-carboxamide
CID 114194037
5-bromo-N-[(1-methylimidazol-2-yl)methyl]thiophene-2-carboxamide
CID 63236222
N-[(3-bromothiophen-2-yl)methyl]-1,3-thiazole-5-carboxamide
CID 103632444

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1,3-thiazol-5-ylmethyl)thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-(1,3-thiazol-5-ylmethyl)thiophene-2-carboxamide (CID 104579028) is 5-bromo-N-(1,3-thiazol-5-ylmethyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(1,3-thiazol-5-ylmethyl)thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-(1,3-thiazol-5-ylmethyl)thiophene-2-carboxamide is O=C(NCc1cncs1)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-(1,3-thiazol-5-ylmethyl)thiophene-2-carboxamide?
The InChIKey is SPROERBMPKHBTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2OS2/c10-8-2-1-7(15-8)9(13)12-4-6-3-11-5-14-6/h1-3,5H,4H2,(H,12,13).
What are the key properties of 5-bromo-N-(1,3-thiazol-5-ylmethyl)thiophene-2-carboxamide?
5-bromo-N-(1,3-thiazol-5-ylmethyl)thiophene-2-carboxamide has a molecular weight of 303.21 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1,3-thiazol-5-ylmethyl)thiophene-2-carboxamide is sourced from PubChem (CID 104579028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).