2-bromo-N-propyl-1,3-thiazole-5-carboxamide

C7H9BrN2OS — CID 117089676

IUPAC2-bromo-N-propyl-1,3-thiazole-5-carboxamide
SMILESCCCNC(=O)c1cnc(Br)s1
InChIInChI=1S/C7H9BrN2OS/c1-2-3-9-6(11)5-4-10-7(8)12-5/h4H,2-3H2,1H3,(H,9,11)
InChIKeyKATHMEZLTXKOBD-UHFFFAOYSA-N
MW249.13 g/mol
LogP2.05
Rot. Bonds3

About 2-bromo-N-propyl-1,3-thiazole-5-carboxamide

2-bromo-N-propyl-1,3-thiazole-5-carboxamide (PubChem CID 117089676) has the molecular formula C7H9BrN2OS and a molecular weight of 249.13 g/mol. Its IUPAC name is 2-bromo-N-propyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-bromo-N-propyl-1,3-thiazole-5-carboxamide
PubChem CID117089676
Molecular FormulaC7H9BrN2OS
Molecular Weight249.13 g/mol
Exact Mass247.96
IUPAC Name2-bromo-N-propyl-1,3-thiazole-5-carboxamide
SMILESCCCNC(=O)c1cnc(Br)s1
InChIInChI=1S/C7H9BrN2OS/c1-2-3-9-6(11)5-4-10-7(8)12-5/h4H,2-3H2,1H3,(H,9,11)
InChIKeyKATHMEZLTXKOBD-UHFFFAOYSA-N
XLogP2.05
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.13
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-propyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-bromo-N-propyl-1,3-thiazole-5-carboxamide (CID 117089676) is 2-bromo-N-propyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-bromo-N-propyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-bromo-N-propyl-1,3-thiazole-5-carboxamide is CCCNC(=O)c1cnc(Br)s1.
What is the InChIKey of 2-bromo-N-propyl-1,3-thiazole-5-carboxamide?
The InChIKey is KATHMEZLTXKOBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrN2OS/c1-2-3-9-6(11)5-4-10-7(8)12-5/h4H,2-3H2,1H3,(H,9,11).
What are the key properties of 2-bromo-N-propyl-1,3-thiazole-5-carboxamide?
2-bromo-N-propyl-1,3-thiazole-5-carboxamide has a molecular weight of 249.13 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-propyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 117089676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).