N-[(5-bromothiophen-2-yl)methyl]azetidine-1-carboxamide

C9H11BrN2OS — CID 138041285

IUPACN-[(5-bromothiophen-2-yl)methyl]azetidine-1-carboxamide
SMILESO=C(NCc1ccc(Br)s1)N1CCC1
InChIInChI=1S/C9H11BrN2OS/c10-8-3-2-7(14-8)6-11-9(13)12-4-1-5-12/h2-3H,1,4-6H2,(H,11,13)
InChIKeyDTTJBCDQCKPCHM-UHFFFAOYSA-N
MW275.17 g/mol
LogP2.43
Rot. Bonds2

About N-[(5-bromothiophen-2-yl)methyl]azetidine-1-carboxamide

N-[(5-bromothiophen-2-yl)methyl]azetidine-1-carboxamide (PubChem CID 138041285) has the molecular formula C9H11BrN2OS and a molecular weight of 275.17 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]azetidine-1-carboxamide.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]azetidine-1-carboxamide
PubChem CID138041285
Molecular FormulaC9H11BrN2OS
Molecular Weight275.17 g/mol
Exact Mass273.98
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]azetidine-1-carboxamide
SMILESO=C(NCc1ccc(Br)s1)N1CCC1
InChIInChI=1S/C9H11BrN2OS/c10-8-3-2-7(14-8)6-11-9(13)12-4-1-5-12/h2-3H,1,4-6H2,(H,11,13)
InChIKeyDTTJBCDQCKPCHM-UHFFFAOYSA-N
XLogP2.43
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.17
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-acetyl-N-[(5-chlorothiophen-2-yl)methyl]-1,4-diazepane-1-carboxamide
CID 51084818
N-[(5-bromothiophen-2-yl)methyl]-4-[(2,5-dimethoxyphenyl)methyl]piperazine-1-carboxamide
CID 112817787
N-[2-(5-bromothiophen-2-yl)ethyl]piperazine-1-carboxamide
CID 115171594
N-[(5-bromothiophen-2-yl)methyl]cyclohexanecarboxamide
CID 32775478
1-amino-N-[(5-bromothiophen-2-yl)methyl]cyclobutane-1-carboxamide
CID 81173121
N-[(5-bromothiophen-2-yl)methyl]-4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carboxamide
CID 112837877
N-[(5-bromothiophen-2-yl)methyl]-2-(2-oxopiperidin-1-yl)acetamide
CID 78864516
2-amino-N-[(5-bromothiophen-2-yl)methyl]acetamide;hydrochloride
CID 119292889
N-(1,2-oxazol-3-ylmethyl)azetidine-1-carboxamide
CID 131176570
1-amino-N-[(5-bromothiophen-2-yl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119292901
N-[(5-bromothiophen-2-yl)methyl]-1-cyclobutylpyrrole-2-carboxamide
CID 114609252
N-[(5-bromothiophen-2-yl)methyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 32775046

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]azetidine-1-carboxamide?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]azetidine-1-carboxamide (CID 138041285) is N-[(5-bromothiophen-2-yl)methyl]azetidine-1-carboxamide.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]azetidine-1-carboxamide?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]azetidine-1-carboxamide is O=C(NCc1ccc(Br)s1)N1CCC1.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]azetidine-1-carboxamide?
The InChIKey is DTTJBCDQCKPCHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2OS/c10-8-3-2-7(14-8)6-11-9(13)12-4-1-5-12/h2-3H,1,4-6H2,(H,11,13).
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]azetidine-1-carboxamide?
N-[(5-bromothiophen-2-yl)methyl]azetidine-1-carboxamide has a molecular weight of 275.17 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)methyl]azetidine-1-carboxamide is sourced from PubChem (CID 138041285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).