N-[(3-bromothiophen-2-yl)methyl]-1,3-thiazole-5-carboxamide

C9H7BrN2OS2 — CID 103632444

IUPACN-[(3-bromothiophen-2-yl)methyl]-1,3-thiazole-5-carboxamide
SMILESO=C(NCc1sccc1Br)c1cncs1
InChIInChI=1S/C9H7BrN2OS2/c10-6-1-2-14-7(6)4-12-9(13)8-3-11-5-15-8/h1-3,5H,4H2,(H,12,13)
InChIKeyMNXOAVVZXDBETR-UHFFFAOYSA-N
MW303.21 g/mol
LogP2.90
Rot. Bonds3

About N-[(3-bromothiophen-2-yl)methyl]-1,3-thiazole-5-carboxamide

N-[(3-bromothiophen-2-yl)methyl]-1,3-thiazole-5-carboxamide (PubChem CID 103632444) has the molecular formula C9H7BrN2OS2 and a molecular weight of 303.21 g/mol. Its IUPAC name is N-[(3-bromothiophen-2-yl)methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3-bromothiophen-2-yl)methyl]-1,3-thiazole-5-carboxamide
PubChem CID103632444
Molecular FormulaC9H7BrN2OS2
Molecular Weight303.21 g/mol
Exact Mass301.92
IUPAC NameN-[(3-bromothiophen-2-yl)methyl]-1,3-thiazole-5-carboxamide
SMILESO=C(NCc1sccc1Br)c1cncs1
InChIInChI=1S/C9H7BrN2OS2/c10-6-1-2-14-7(6)4-12-9(13)8-3-11-5-15-8/h1-3,5H,4H2,(H,12,13)
InChIKeyMNXOAVVZXDBETR-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

N-[(3-bromothiophen-2-yl)methyl]thiophene-2-carboxamide
CID 78985953
N-[(3-bromothiophen-2-yl)methyl]-6-fluoropyridine-3-carboxamide
CID 78962520
N-[(3-bromothiophen-2-yl)methyl]-3-hydroxy-4-iodobenzamide
CID 113434715
N-[(3-bromothiophen-2-yl)methyl]-6-chloropyridine-3-carboxamide
CID 78986104
5-[(3-bromothiophen-2-yl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 78925537
N-[(3-bromothiophen-2-yl)methyl]-3-ethylthiophene-2-carboxamide
CID 78985898
5-bromo-N-[(3-bromothiophen-2-yl)methyl]-2-iodobenzamide
CID 114033134
N-[(3-bromothiophen-2-yl)methyl]-5,6-dichloropyridine-3-carboxamide
CID 78986029
3-[(3-bromothiophen-2-yl)methyl]-1,1-diethylurea
CID 78986182
N-[(2-methylphenyl)methyl]-1,3-thiazole-5-carboxamide
CID 110850665
N-[(3-bromothiophen-2-yl)methyl]-1-methylimidazole-4-carboxamide
CID 103859682
N-[(3-bromothiophen-2-yl)methyl]-4-(trifluoromethoxy)benzamide
CID 115598108

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromothiophen-2-yl)methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(3-bromothiophen-2-yl)methyl]-1,3-thiazole-5-carboxamide (CID 103632444) is N-[(3-bromothiophen-2-yl)methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(3-bromothiophen-2-yl)methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(3-bromothiophen-2-yl)methyl]-1,3-thiazole-5-carboxamide is O=C(NCc1sccc1Br)c1cncs1.
What is the InChIKey of N-[(3-bromothiophen-2-yl)methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is MNXOAVVZXDBETR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2OS2/c10-6-1-2-14-7(6)4-12-9(13)8-3-11-5-15-8/h1-3,5H,4H2,(H,12,13).
What are the key properties of N-[(3-bromothiophen-2-yl)methyl]-1,3-thiazole-5-carboxamide?
N-[(3-bromothiophen-2-yl)methyl]-1,3-thiazole-5-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 N-[(3-bromothiophen-2-yl)methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 103632444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).