4-(5-bromothiophen-2-yl)-1,3-thiazol-2-amine

C7H5BrN2S2 — CID 725239

IUPAC4-(5-bromothiophen-2-yl)-1,3-thiazol-2-amine
SMILESNc1nc(-c2ccc(Br)s2)cs1
InChIInChI=1S/C7H5BrN2S2/c8-6-2-1-5(12-6)4-3-11-7(9)10-4/h1-3H,(H2,9,10)
InChIKeyMMZHPDCFNLBMBY-UHFFFAOYSA-N
MW261.17 g/mol
LogP3.22
Rot. Bonds1

About 4-(5-bromothiophen-2-yl)-1,3-thiazol-2-amine

4-(5-bromothiophen-2-yl)-1,3-thiazol-2-amine (PubChem CID 725239) has the molecular formula C7H5BrN2S2 and a molecular weight of 261.17 g/mol. Its IUPAC name is 4-(5-bromothiophen-2-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(5-bromothiophen-2-yl)-1,3-thiazol-2-amine
PubChem CID725239
Molecular FormulaC7H5BrN2S2
Molecular Weight261.17 g/mol
Exact Mass259.91
IUPAC Name4-(5-bromothiophen-2-yl)-1,3-thiazol-2-amine
SMILESNc1nc(-c2ccc(Br)s2)cs1
InChIInChI=1S/C7H5BrN2S2/c8-6-2-1-5(12-6)4-3-11-7(9)10-4/h1-3H,(H2,9,10)
InChIKeyMMZHPDCFNLBMBY-UHFFFAOYSA-N
XLogP3.22
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.17
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-bromothiophen-2-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(5-bromothiophen-2-yl)-1,3-thiazol-2-amine (CID 725239) is 4-(5-bromothiophen-2-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(5-bromothiophen-2-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(5-bromothiophen-2-yl)-1,3-thiazol-2-amine is Nc1nc(-c2ccc(Br)s2)cs1.
What is the InChIKey of 4-(5-bromothiophen-2-yl)-1,3-thiazol-2-amine?
The InChIKey is MMZHPDCFNLBMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrN2S2/c8-6-2-1-5(12-6)4-3-11-7(9)10-4/h1-3H,(H2,9,10).
What are the key properties of 4-(5-bromothiophen-2-yl)-1,3-thiazol-2-amine?
4-(5-bromothiophen-2-yl)-1,3-thiazol-2-amine has a molecular weight of 261.17 g/mol, XLogP of 3.22, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromothiophen-2-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 725239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).