N-(4-bromo-5-methyl-1,3-thiazol-2-yl)formamide

C5H5BrN2OS — CID 154881592

IUPACN-(4-bromo-5-methyl-1,3-thiazol-2-yl)formamide
SMILESCc1sc(NC=O)nc1Br
InChIInChI=1S/C5H5BrN2OS/c1-3-4(6)8-5(10-3)7-2-9/h2H,1H3,(H,7,8,9)
InChIKeyKAQWINLDLOLTKO-UHFFFAOYSA-N
MW221.08 g/mol
LogP1.78
Rot. Bonds2

About N-(4-bromo-5-methyl-1,3-thiazol-2-yl)formamide

N-(4-bromo-5-methyl-1,3-thiazol-2-yl)formamide (PubChem CID 154881592) has the molecular formula C5H5BrN2OS and a molecular weight of 221.08 g/mol. Its IUPAC name is N-(4-bromo-5-methyl-1,3-thiazol-2-yl)formamide.

Molecular Properties

Compound NameN-(4-bromo-5-methyl-1,3-thiazol-2-yl)formamide
PubChem CID154881592
Molecular FormulaC5H5BrN2OS
Molecular Weight221.08 g/mol
Exact Mass219.93
IUPAC NameN-(4-bromo-5-methyl-1,3-thiazol-2-yl)formamide
SMILESCc1sc(NC=O)nc1Br
InChIInChI=1S/C5H5BrN2OS/c1-3-4(6)8-5(10-3)7-2-9/h2H,1H3,(H,7,8,9)
InChIKeyKAQWINLDLOLTKO-UHFFFAOYSA-N
XLogP1.78
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.08
LogP ≤ 51.78
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-(4-bromo-5-methyl-1,3-thiazol-2-yl)formamide?
The IUPAC name of N-(4-bromo-5-methyl-1,3-thiazol-2-yl)formamide (CID 154881592) is N-(4-bromo-5-methyl-1,3-thiazol-2-yl)formamide.
What is the SMILES notation for N-(4-bromo-5-methyl-1,3-thiazol-2-yl)formamide?
The canonical SMILES for N-(4-bromo-5-methyl-1,3-thiazol-2-yl)formamide is Cc1sc(NC=O)nc1Br.
What is the InChIKey of N-(4-bromo-5-methyl-1,3-thiazol-2-yl)formamide?
The InChIKey is KAQWINLDLOLTKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5BrN2OS/c1-3-4(6)8-5(10-3)7-2-9/h2H,1H3,(H,7,8,9).
What are the key properties of N-(4-bromo-5-methyl-1,3-thiazol-2-yl)formamide?
N-(4-bromo-5-methyl-1,3-thiazol-2-yl)formamide has a molecular weight of 221.08 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-5-methyl-1,3-thiazol-2-yl)formamide is sourced from PubChem (CID 154881592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).