2-ethenyl-1,3-thiazole;hydrobromide

C5H6BrNS — CID 173125842

IUPAC2-ethenyl-1,3-thiazole;hydrobromide
SMILESBr.C=Cc1nccs1
InChIInChI=1S/C5H5NS.BrH/c1-2-5-6-3-4-7-5;/h2-4H,1H2;1H
InChIKeyVDZIHDFHSFXVJQ-UHFFFAOYSA-N
MW192.08 g/mol
LogP2.36
Rot. Bonds1

About 2-ethenyl-1,3-thiazole;hydrobromide

2-ethenyl-1,3-thiazole;hydrobromide (PubChem CID 173125842) has the molecular formula C5H6BrNS and a molecular weight of 192.08 g/mol. Its IUPAC name is 2-ethenyl-1,3-thiazole;hydrobromide.

Molecular Properties

Compound Name2-ethenyl-1,3-thiazole;hydrobromide
PubChem CID173125842
Molecular FormulaC5H6BrNS
Molecular Weight192.08 g/mol
Exact Mass190.94
IUPAC Name2-ethenyl-1,3-thiazole;hydrobromide
SMILESBr.C=Cc1nccs1
InChIInChI=1S/C5H5NS.BrH/c1-2-5-6-3-4-7-5;/h2-4H,1H2;1H
InChIKeyVDZIHDFHSFXVJQ-UHFFFAOYSA-N
XLogP2.36
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.08
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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2-[(Z)-2-bromoethenyl]-1,3-thiazole
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ethane;(Z)-2-(1,3-thiazol-2-yl)ethenamine
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(E)-1-(1,3-thiazol-2-yl)-N-trimethylsilyloxymethanimine
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(E)-N,N-dimethyl-2-(1,3-thiazol-2-yl)ethenamine
CID 90120326
(E)-3-(1,3-thiazol-2-yl)(1,2,3-13C3)prop-2-enoic acid
CID 171379273
2-[(E)-2-(1,3,5-triazin-2-yl)ethenyl]-1,3-thiazole
CID 90277910
2-(1,3-thiazol-2-yl)ethenesulfonamide
CID 171034875
2-[(E)-2-[6-[(E)-2-(1,3-thiazol-2-yl)ethenyl]-2-pyridinyl]ethenyl]-1,3-thiazole
CID 5471827
4-(1,3-thiazol-2-yl)but-3-en-2-one
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(Z)-2-amino-3-(1,3-thiazol-2-yl)prop-2-enoic acid
CID 70407075

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-1,3-thiazole;hydrobromide?
The IUPAC name of 2-ethenyl-1,3-thiazole;hydrobromide (CID 173125842) is 2-ethenyl-1,3-thiazole;hydrobromide.
What is the SMILES notation for 2-ethenyl-1,3-thiazole;hydrobromide?
The canonical SMILES for 2-ethenyl-1,3-thiazole;hydrobromide is Br.C=Cc1nccs1.
What is the InChIKey of 2-ethenyl-1,3-thiazole;hydrobromide?
The InChIKey is VDZIHDFHSFXVJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NS.BrH/c1-2-5-6-3-4-7-5;/h2-4H,1H2;1H.
What are the key properties of 2-ethenyl-1,3-thiazole;hydrobromide?
2-ethenyl-1,3-thiazole;hydrobromide has a molecular weight of 192.08 g/mol, XLogP of 2.36, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-1,3-thiazole;hydrobromide is sourced from PubChem (CID 173125842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).