1,3-thiazole-5-carboxamide;hydrobromide

C4H5BrN2OS — CID 164945589

IUPAC1,3-thiazole-5-carboxamide;hydrobromide
SMILESBr.NC(=O)c1cncs1
InChIInChI=1S/C4H4N2OS.BrH/c5-4(7)3-1-6-2-8-3;/h1-2H,(H2,5,7);1H
InChIKeyTUDFFYNZNMFXOU-UHFFFAOYSA-N
MW209.07 g/mol
LogP0.82
Rot. Bonds1

About 1,3-thiazole-5-carboxamide;hydrobromide

1,3-thiazole-5-carboxamide;hydrobromide (PubChem CID 164945589) has the molecular formula C4H5BrN2OS and a molecular weight of 209.07 g/mol. Its IUPAC name is 1,3-thiazole-5-carboxamide;hydrobromide.

Molecular Properties

Compound Name1,3-thiazole-5-carboxamide;hydrobromide
PubChem CID164945589
Molecular FormulaC4H5BrN2OS
Molecular Weight209.07 g/mol
Exact Mass207.93
IUPAC Name1,3-thiazole-5-carboxamide;hydrobromide
SMILESBr.NC(=O)c1cncs1
InChIInChI=1S/C4H4N2OS.BrH/c5-4(7)3-1-6-2-8-3;/h1-2H,(H2,5,7);1H
InChIKeyTUDFFYNZNMFXOU-UHFFFAOYSA-N
XLogP0.82
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.07
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methanesulfonic acid;1,3-thiazole-5-carboxamide
CID 174614259
carbamoyl 1,3-thiazole-5-carboxylate
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lithium 1,3-thiazole-5-carboxylate
CID 67211399
N'-(1,3-thiazole-5-carbonyl)-1,3-thiazole-5-carbohydrazide
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N'-hydroxy-1,3-thiazole-5-carboximidamide
CID 55281090
N-propan-2-yl-1,3-thiazole-5-carboxamide
CID 23525711
1-(1,3-thiazol-5-yl)propan-1-one
CID 54522425
N-(2-amino-2-oxoethoxy)-1,3-thiazole-5-carboxamide
CID 103901233
1-methyl-1-(1,3-thiazole-5-carbonylamino)urea
CID 130710603
1,3-thiazole-5-carbothiohydrazide
CID 88657254
N-(2-aminoethyl)-1,3-thiazole-5-carboxamide
CID 83617604
(1,3-thiazole-5-carbonylamino)carbamic acid
CID 123379520

Frequently Asked Questions

What is the IUPAC name of 1,3-thiazole-5-carboxamide;hydrobromide?
The IUPAC name of 1,3-thiazole-5-carboxamide;hydrobromide (CID 164945589) is 1,3-thiazole-5-carboxamide;hydrobromide.
What is the SMILES notation for 1,3-thiazole-5-carboxamide;hydrobromide?
The canonical SMILES for 1,3-thiazole-5-carboxamide;hydrobromide is Br.NC(=O)c1cncs1.
What is the InChIKey of 1,3-thiazole-5-carboxamide;hydrobromide?
The InChIKey is TUDFFYNZNMFXOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2OS.BrH/c5-4(7)3-1-6-2-8-3;/h1-2H,(H2,5,7);1H.
What are the key properties of 1,3-thiazole-5-carboxamide;hydrobromide?
1,3-thiazole-5-carboxamide;hydrobromide has a molecular weight of 209.07 g/mol, XLogP of 0.82, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-thiazole-5-carboxamide;hydrobromide is sourced from PubChem (CID 164945589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).