N-[(5-bromo-1,3-thiazol-2-yl)methyl]formamide

C5H5BrN2OS — CID 23088762

IUPACN-[(5-bromo-1,3-thiazol-2-yl)methyl]formamide
SMILESO=CNCc1ncc(Br)s1
InChIInChI=1S/C5H5BrN2OS/c6-4-1-8-5(10-4)2-7-3-9/h1,3H,2H2,(H,7,9)
InChIKeyKIYHSKGOEAGEDR-UHFFFAOYSA-N
MW221.08 g/mol
LogP1.15
Rot. Bonds3

About N-[(5-bromo-1,3-thiazol-2-yl)methyl]formamide

N-[(5-bromo-1,3-thiazol-2-yl)methyl]formamide (PubChem CID 23088762) has the molecular formula C5H5BrN2OS and a molecular weight of 221.08 g/mol. Its IUPAC name is N-[(5-bromo-1,3-thiazol-2-yl)methyl]formamide.

Molecular Properties

Compound NameN-[(5-bromo-1,3-thiazol-2-yl)methyl]formamide
PubChem CID23088762
Molecular FormulaC5H5BrN2OS
Molecular Weight221.08 g/mol
Exact Mass219.93
IUPAC NameN-[(5-bromo-1,3-thiazol-2-yl)methyl]formamide
SMILESO=CNCc1ncc(Br)s1
InChIInChI=1S/C5H5BrN2OS/c6-4-1-8-5(10-4)2-7-3-9/h1,3H,2H2,(H,7,9)
InChIKeyKIYHSKGOEAGEDR-UHFFFAOYSA-N
XLogP1.15
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.08
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-1,3-thiazol-2-yl)methyl]formamide?
The IUPAC name of N-[(5-bromo-1,3-thiazol-2-yl)methyl]formamide (CID 23088762) is N-[(5-bromo-1,3-thiazol-2-yl)methyl]formamide.
What is the SMILES notation for N-[(5-bromo-1,3-thiazol-2-yl)methyl]formamide?
The canonical SMILES for N-[(5-bromo-1,3-thiazol-2-yl)methyl]formamide is O=CNCc1ncc(Br)s1.
What is the InChIKey of N-[(5-bromo-1,3-thiazol-2-yl)methyl]formamide?
The InChIKey is KIYHSKGOEAGEDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5BrN2OS/c6-4-1-8-5(10-4)2-7-3-9/h1,3H,2H2,(H,7,9).
What are the key properties of N-[(5-bromo-1,3-thiazol-2-yl)methyl]formamide?
N-[(5-bromo-1,3-thiazol-2-yl)methyl]formamide has a molecular weight of 221.08 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-1,3-thiazol-2-yl)methyl]formamide is sourced from PubChem (CID 23088762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).