4-bromo-N-methylthiophen-2-amine

C5H6BrNS — CID 21218584

IUPAC4-bromo-N-methylthiophen-2-amine
SMILESCNc1cc(Br)cs1
InChIInChI=1S/C5H6BrNS/c1-7-5-2-4(6)3-8-5/h2-3,7H,1H3
InChIKeyYIQDCVOVDKUMLM-UHFFFAOYSA-N
MW192.08 g/mol
LogP2.55
Rot. Bonds1

About 4-bromo-N-methylthiophen-2-amine

4-bromo-N-methylthiophen-2-amine (PubChem CID 21218584) has the molecular formula C5H6BrNS and a molecular weight of 192.08 g/mol. Its IUPAC name is 4-bromo-N-methylthiophen-2-amine.

Molecular Properties

Compound Name4-bromo-N-methylthiophen-2-amine
PubChem CID21218584
Molecular FormulaC5H6BrNS
Molecular Weight192.08 g/mol
Exact Mass190.94
IUPAC Name4-bromo-N-methylthiophen-2-amine
SMILESCNc1cc(Br)cs1
InChIInChI=1S/C5H6BrNS/c1-7-5-2-4(6)3-8-5/h2-3,7H,1H3
InChIKeyYIQDCVOVDKUMLM-UHFFFAOYSA-N
XLogP2.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.08
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-methylthiophen-2-amine?
The IUPAC name of 4-bromo-N-methylthiophen-2-amine (CID 21218584) is 4-bromo-N-methylthiophen-2-amine.
What is the SMILES notation for 4-bromo-N-methylthiophen-2-amine?
The canonical SMILES for 4-bromo-N-methylthiophen-2-amine is CNc1cc(Br)cs1.
What is the InChIKey of 4-bromo-N-methylthiophen-2-amine?
The InChIKey is YIQDCVOVDKUMLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6BrNS/c1-7-5-2-4(6)3-8-5/h2-3,7H,1H3.
What are the key properties of 4-bromo-N-methylthiophen-2-amine?
4-bromo-N-methylthiophen-2-amine has a molecular weight of 192.08 g/mol, XLogP of 2.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-methylthiophen-2-amine is sourced from PubChem (CID 21218584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).