4-[2-(2,5-dibromothiophen-3-yl)ethenyl]-1,3-thiazol-2-amine

C9H6Br2N2S2 — CID 77040467

IUPAC4-[2-(2,5-dibromothiophen-3-yl)ethenyl]-1,3-thiazol-2-amine
SMILESNc1nc(C=Cc2cc(Br)sc2Br)cs1
InChIInChI=1S/C9H6Br2N2S2/c10-7-3-5(8(11)15-7)1-2-6-4-14-9(12)13-6/h1-4H,(H2,12,13)
InChIKeyXBPQDOCIDFNZTQ-UHFFFAOYSA-N
MW366.10 g/mol
LogP4.48
Rot. Bonds2

About 4-[2-(2,5-dibromothiophen-3-yl)ethenyl]-1,3-thiazol-2-amine

4-[2-(2,5-dibromothiophen-3-yl)ethenyl]-1,3-thiazol-2-amine (PubChem CID 77040467) has the molecular formula C9H6Br2N2S2 and a molecular weight of 366.10 g/mol. Its IUPAC name is 4-[2-(2,5-dibromothiophen-3-yl)ethenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[2-(2,5-dibromothiophen-3-yl)ethenyl]-1,3-thiazol-2-amine
PubChem CID77040467
Molecular FormulaC9H6Br2N2S2
Molecular Weight366.10 g/mol
Exact Mass363.83
IUPAC Name4-[2-(2,5-dibromothiophen-3-yl)ethenyl]-1,3-thiazol-2-amine
SMILESNc1nc(C=Cc2cc(Br)sc2Br)cs1
InChIInChI=1S/C9H6Br2N2S2/c10-7-3-5(8(11)15-7)1-2-6-4-14-9(12)13-6/h1-4H,(H2,12,13)
InChIKeyXBPQDOCIDFNZTQ-UHFFFAOYSA-N
XLogP4.48
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.10
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,5-dibromothiophen-3-yl)ethenyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[2-(2,5-dibromothiophen-3-yl)ethenyl]-1,3-thiazol-2-amine (CID 77040467) is 4-[2-(2,5-dibromothiophen-3-yl)ethenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[2-(2,5-dibromothiophen-3-yl)ethenyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[2-(2,5-dibromothiophen-3-yl)ethenyl]-1,3-thiazol-2-amine is Nc1nc(C=Cc2cc(Br)sc2Br)cs1.
What is the InChIKey of 4-[2-(2,5-dibromothiophen-3-yl)ethenyl]-1,3-thiazol-2-amine?
The InChIKey is XBPQDOCIDFNZTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Br2N2S2/c10-7-3-5(8(11)15-7)1-2-6-4-14-9(12)13-6/h1-4H,(H2,12,13).
What are the key properties of 4-[2-(2,5-dibromothiophen-3-yl)ethenyl]-1,3-thiazol-2-amine?
4-[2-(2,5-dibromothiophen-3-yl)ethenyl]-1,3-thiazol-2-amine has a molecular weight of 366.10 g/mol, XLogP of 4.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,5-dibromothiophen-3-yl)ethenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 77040467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).