N-[(5-bromothiophen-3-yl)methyl]-4-methylthiophen-3-amine

C10H10BrNS2 — CID 115751738

IUPACN-[(5-bromothiophen-3-yl)methyl]-4-methylthiophen-3-amine
SMILESCc1cscc1NCc1csc(Br)c1
InChIInChI=1S/C10H10BrNS2/c1-7-4-13-6-9(7)12-3-8-2-10(11)14-5-8/h2,4-6,12H,3H2,1H3
InChIKeyXSEJFYRPRDOJRQ-UHFFFAOYSA-N
MW288.24 g/mol
LogP4.49
Rot. Bonds3

About N-[(5-bromothiophen-3-yl)methyl]-4-methylthiophen-3-amine

N-[(5-bromothiophen-3-yl)methyl]-4-methylthiophen-3-amine (PubChem CID 115751738) has the molecular formula C10H10BrNS2 and a molecular weight of 288.24 g/mol. Its IUPAC name is N-[(5-bromothiophen-3-yl)methyl]-4-methylthiophen-3-amine.

Molecular Properties

Compound NameN-[(5-bromothiophen-3-yl)methyl]-4-methylthiophen-3-amine
PubChem CID115751738
Molecular FormulaC10H10BrNS2
Molecular Weight288.24 g/mol
Exact Mass286.94
IUPAC NameN-[(5-bromothiophen-3-yl)methyl]-4-methylthiophen-3-amine
SMILESCc1cscc1NCc1csc(Br)c1
InChIInChI=1S/C10H10BrNS2/c1-7-4-13-6-9(7)12-3-8-2-10(11)14-5-8/h2,4-6,12H,3H2,1H3
InChIKeyXSEJFYRPRDOJRQ-UHFFFAOYSA-N
XLogP4.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.24
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-bromothiophen-3-yl)methyl]-2-chloro-4-methylaniline
CID 43647053
N-[(5-bromothiophen-3-yl)methyl]-3-fluoro-5-methylaniline
CID 79054546
N-[(5-bromothiophen-3-yl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine
CID 115924839
N-[(5-bromothiophen-3-yl)methyl]-4-fluoro-3-methylaniline
CID 62810399
5-bromo-N-[(5-bromothiophen-3-yl)methyl]-2-methoxyaniline
CID 61059947
N-[(2-bromophenyl)methyl]-4-methylthiophen-3-amine
CID 115751803
N-[(5-bromothiophen-3-yl)methyl]hydroxylamine
CID 82686785
N-[(5-bromothiophen-3-yl)methyl]-5-tert-butyl-2-methoxyaniline
CID 43681233
N-[(5-bromothiophen-3-yl)methyl]propan-2-amine
CID 43431930
3-[(5-bromothiophen-3-yl)methylamino]-5-fluoro-4-methylbenzamide
CID 43735810
N-[(5-bromothiophen-3-yl)methyl]pyridin-3-amine
CID 43646901
N-[(5-bromothiophen-3-yl)methyl]-3,4,5-trifluoroaniline
CID 62809151

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-4-methylthiophen-3-amine?
The IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-4-methylthiophen-3-amine (CID 115751738) is N-[(5-bromothiophen-3-yl)methyl]-4-methylthiophen-3-amine.
What is the SMILES notation for N-[(5-bromothiophen-3-yl)methyl]-4-methylthiophen-3-amine?
The canonical SMILES for N-[(5-bromothiophen-3-yl)methyl]-4-methylthiophen-3-amine is Cc1cscc1NCc1csc(Br)c1.
What is the InChIKey of N-[(5-bromothiophen-3-yl)methyl]-4-methylthiophen-3-amine?
The InChIKey is XSEJFYRPRDOJRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNS2/c1-7-4-13-6-9(7)12-3-8-2-10(11)14-5-8/h2,4-6,12H,3H2,1H3.
What are the key properties of N-[(5-bromothiophen-3-yl)methyl]-4-methylthiophen-3-amine?
N-[(5-bromothiophen-3-yl)methyl]-4-methylthiophen-3-amine has a molecular weight of 288.24 g/mol, XLogP of 4.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-3-yl)methyl]-4-methylthiophen-3-amine is sourced from PubChem (CID 115751738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).