5-bromo-N-[2-(1-methylimidazol-2-yl)ethyl]thiophene-3-carboxamide

C11H12BrN3OS — CID 61211107

IUPAC5-bromo-N-[2-(1-methylimidazol-2-yl)ethyl]thiophene-3-carboxamide
SMILESCn1ccnc1CCNC(=O)c1csc(Br)c1
InChIInChI=1S/C11H12BrN3OS/c1-15-5-4-13-10(15)2-3-14-11(16)8-6-9(12)17-7-8/h4-7H,2-3H2,1H3,(H,14,16)
InChIKeyIYSBBPXCPLMSKL-UHFFFAOYSA-N
MW314.21 g/mol
LogP2.22
Rot. Bonds4

About 5-bromo-N-[2-(1-methylimidazol-2-yl)ethyl]thiophene-3-carboxamide

5-bromo-N-[2-(1-methylimidazol-2-yl)ethyl]thiophene-3-carboxamide (PubChem CID 61211107) has the molecular formula C11H12BrN3OS and a molecular weight of 314.21 g/mol. Its IUPAC name is 5-bromo-N-[2-(1-methylimidazol-2-yl)ethyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-(1-methylimidazol-2-yl)ethyl]thiophene-3-carboxamide
PubChem CID61211107
Molecular FormulaC11H12BrN3OS
Molecular Weight314.21 g/mol
Exact Mass312.99
IUPAC Name5-bromo-N-[2-(1-methylimidazol-2-yl)ethyl]thiophene-3-carboxamide
SMILESCn1ccnc1CCNC(=O)c1csc(Br)c1
InChIInChI=1S/C11H12BrN3OS/c1-15-5-4-13-10(15)2-3-14-11(16)8-6-9(12)17-7-8/h4-7H,2-3H2,1H3,(H,14,16)
InChIKeyIYSBBPXCPLMSKL-UHFFFAOYSA-N
XLogP2.22
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.21
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]thiophene-3-carboxamide
CID 63330474
2,6-dichloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-4-carboxamide
CID 61217931
N-[2-(1-methylimidazol-2-yl)ethyl]-3-sulfanylbenzamide
CID 107027461
5-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]thiophene-3-carboxamide
CID 104693664
4,6-dimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]pyrimidine-5-carboxamide
CID 122555866
5-iodo-N-[(1-methylimidazol-2-yl)methyl]thiophene-3-carboxamide
CID 78950124
2-fluoro-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide
CID 61215487
5-chloro-6-hydrazinyl-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-3-carboxamide
CID 62248435
4-bromo-2-methoxy-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide
CID 78988023
5-amino-2-bromo-4-fluoro-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide
CID 62814568
[1-(5-bromothiophen-3-yl)-3-(1-methylimidazol-2-yl)propyl]hydrazine
CID 105340409
2-chloro-6-hydrazinyl-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-4-carboxamide
CID 62248961

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(1-methylimidazol-2-yl)ethyl]thiophene-3-carboxamide?
The IUPAC name of 5-bromo-N-[2-(1-methylimidazol-2-yl)ethyl]thiophene-3-carboxamide (CID 61211107) is 5-bromo-N-[2-(1-methylimidazol-2-yl)ethyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-(1-methylimidazol-2-yl)ethyl]thiophene-3-carboxamide?
The canonical SMILES for 5-bromo-N-[2-(1-methylimidazol-2-yl)ethyl]thiophene-3-carboxamide is Cn1ccnc1CCNC(=O)c1csc(Br)c1.
What is the InChIKey of 5-bromo-N-[2-(1-methylimidazol-2-yl)ethyl]thiophene-3-carboxamide?
The InChIKey is IYSBBPXCPLMSKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3OS/c1-15-5-4-13-10(15)2-3-14-11(16)8-6-9(12)17-7-8/h4-7H,2-3H2,1H3,(H,14,16).
What are the key properties of 5-bromo-N-[2-(1-methylimidazol-2-yl)ethyl]thiophene-3-carboxamide?
5-bromo-N-[2-(1-methylimidazol-2-yl)ethyl]thiophene-3-carboxamide has a molecular weight of 314.21 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(1-methylimidazol-2-yl)ethyl]thiophene-3-carboxamide is sourced from PubChem (CID 61211107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).