7-bromo-2-methylimidazo[1,2-a]pyridine-3-carbothioamide

C9H8BrN3S — CID 82530100

IUPAC7-bromo-2-methylimidazo[1,2-a]pyridine-3-carbothioamide
SMILESCc1nc2cc(Br)ccn2c1C(N)=S
InChIInChI=1S/C9H8BrN3S/c1-5-8(9(11)14)13-3-2-6(10)4-7(13)12-5/h2-4H,1H3,(H2,11,14)
InChIKeyISPCZWOTHHHFAU-UHFFFAOYSA-N
MW270.16 g/mol
LogP2.04
Rot. Bonds1

About 7-bromo-2-methylimidazo[1,2-a]pyridine-3-carbothioamide

7-bromo-2-methylimidazo[1,2-a]pyridine-3-carbothioamide (PubChem CID 82530100) has the molecular formula C9H8BrN3S and a molecular weight of 270.16 g/mol. Its IUPAC name is 7-bromo-2-methylimidazo[1,2-a]pyridine-3-carbothioamide.

Molecular Properties

Compound Name7-bromo-2-methylimidazo[1,2-a]pyridine-3-carbothioamide
PubChem CID82530100
Molecular FormulaC9H8BrN3S
Molecular Weight270.16 g/mol
Exact Mass268.96
IUPAC Name7-bromo-2-methylimidazo[1,2-a]pyridine-3-carbothioamide
SMILESCc1nc2cc(Br)ccn2c1C(N)=S
InChIInChI=1S/C9H8BrN3S/c1-5-8(9(11)14)13-3-2-6(10)4-7(13)12-5/h2-4H,1H3,(H2,11,14)
InChIKeyISPCZWOTHHHFAU-UHFFFAOYSA-N
XLogP2.04
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.16
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-bromo-2,3-dimethylimidazo[1,2-a]pyridine;ethane
CID 143862133
3-(7-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)propanoic acid
CID 82529860
(7-bromo-3-methylimidazo[1,2-a]pyridin-2-yl)methanol
CID 115044017
3-amino-7-bromoimidazo[1,2-a]pyridine-2-carboxamide
CID 82530178
7-bromo-2-tert-butylimidazo[1,2-a]pyridin-3-amine
CID 82529962
3-bromopyrido[1,2-a]benzimidazole
CID 132596716
7-bromo-3-fluoroimidazo[1,2-a]pyridine-2-carboxylic acid
CID 166609430
1-(7-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)ethanone
CID 115018892
2-amino-8-bromopyrido[1,2-a]pyrimidin-4-one
CID 83898761
7-chloro-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide
CID 82530149
2-(7-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
CID 83867856
(7-bromo-3-chloroimidazo[1,2-a]pyridin-2-yl)methanol
CID 156822587

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-methylimidazo[1,2-a]pyridine-3-carbothioamide?
The IUPAC name of 7-bromo-2-methylimidazo[1,2-a]pyridine-3-carbothioamide (CID 82530100) is 7-bromo-2-methylimidazo[1,2-a]pyridine-3-carbothioamide.
What is the SMILES notation for 7-bromo-2-methylimidazo[1,2-a]pyridine-3-carbothioamide?
The canonical SMILES for 7-bromo-2-methylimidazo[1,2-a]pyridine-3-carbothioamide is Cc1nc2cc(Br)ccn2c1C(N)=S.
What is the InChIKey of 7-bromo-2-methylimidazo[1,2-a]pyridine-3-carbothioamide?
The InChIKey is ISPCZWOTHHHFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrN3S/c1-5-8(9(11)14)13-3-2-6(10)4-7(13)12-5/h2-4H,1H3,(H2,11,14).
What are the key properties of 7-bromo-2-methylimidazo[1,2-a]pyridine-3-carbothioamide?
7-bromo-2-methylimidazo[1,2-a]pyridine-3-carbothioamide has a molecular weight of 270.16 g/mol, XLogP of 2.04, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-methylimidazo[1,2-a]pyridine-3-carbothioamide is sourced from PubChem (CID 82530100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).