ethane;methyl N-[(6-bromoimidazo[1,2-a]pyridine-3-carbonyl)amino]carbamodithioate

C12H15BrN4OS2 — CID 91175246

IUPACethane;methyl N-[(6-bromoimidazo[1,2-a]pyridine-3-carbonyl)amino]carbamodithioate
SMILESCC.CSC(=S)NNC(=O)c1cnc2ccc(Br)cn12
InChIInChI=1S/C10H9BrN4OS2.C2H6/c1-18-10(17)14-13-9(16)7-4-12-8-3-2-6(11)5-15(7)8;1-2/h2-5H,1H3,(H,13,16)(H,14,17);1-2H3
InChIKeyJHRZFIXYQFOVNU-UHFFFAOYSA-N
MW375.32 g/mol
LogP3.01
Rot. Bonds1

About ethane;methyl N-[(6-bromoimidazo[1,2-a]pyridine-3-carbonyl)amino]carbamodithioate

ethane;methyl N-[(6-bromoimidazo[1,2-a]pyridine-3-carbonyl)amino]carbamodithioate (PubChem CID 91175246) has the molecular formula C12H15BrN4OS2 and a molecular weight of 375.32 g/mol. Its IUPAC name is ethane;methyl N-[(6-bromoimidazo[1,2-a]pyridine-3-carbonyl)amino]carbamodithioate.

Molecular Properties

Compound Nameethane;methyl N-[(6-bromoimidazo[1,2-a]pyridine-3-carbonyl)amino]carbamodithioate
PubChem CID91175246
Molecular FormulaC12H15BrN4OS2
Molecular Weight375.32 g/mol
Exact Mass373.99
IUPAC Nameethane;methyl N-[(6-bromoimidazo[1,2-a]pyridine-3-carbonyl)amino]carbamodithioate
SMILESCC.CSC(=S)NNC(=O)c1cnc2ccc(Br)cn12
InChIInChI=1S/C10H9BrN4OS2.C2H6/c1-18-10(17)14-13-9(16)7-4-12-8-3-2-6(11)5-15(7)8;1-2/h2-5H,1H3,(H,13,16)(H,14,17);1-2H3
InChIKeyJHRZFIXYQFOVNU-UHFFFAOYSA-N
XLogP3.01
TPSA58.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.32
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(6-bromoimidazo[1,2-a]pyridin-3-yl)-(2,6-difluorophenyl)methanone
CID 146674136
6-bromoimidazo[1,2-a]pyridine-3-carboxylic acid;6-bromo-3-isocyanoimidazo[1,2-a]pyridine;methane
CID 161388743
6-bromoimidazo[1,2-a]pyridine-3-carboxylic acid;6-bromo-N-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridine-3-carboxamide;3,4,5-trimethoxyaniline
CID 161366478
6-bromo-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 90094755
ethyl 3-bromopyrrolo[1,2-a]pyrimidine-6-carboxylate
CID 135393217
6-fluoroimidazo[1,2-a]pyridine-3-carbohydrazide
CID 162420999
7-bromo-N-(2-methylbutan-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 75416997
ethane;6-methyl-N-(oxan-4-yl)imidazo[1,2-a]pyridine-3-carboxamide
CID 145449183
[4-(6-bromoimidazo[1,2-a]pyridine-3-carbonyl)-3-fluorophenyl]-morpholin-4-ylmethanone
CID 58522767
methyl N-(6-bromoimidazo[1,2-a]pyridine-3-carboximidoyl)cyclopropanecarboximidate
CID 89191388
7-bromo-3-chloropyrido[1,2-a]pyrimidin-4-one
CID 84709899
3-amino-7-bromopyrido[1,2-a]pyrimidin-4-one
CID 83898748

Frequently Asked Questions

What is the IUPAC name of ethane;methyl N-[(6-bromoimidazo[1,2-a]pyridine-3-carbonyl)amino]carbamodithioate?
The IUPAC name of ethane;methyl N-[(6-bromoimidazo[1,2-a]pyridine-3-carbonyl)amino]carbamodithioate (CID 91175246) is ethane;methyl N-[(6-bromoimidazo[1,2-a]pyridine-3-carbonyl)amino]carbamodithioate.
What is the SMILES notation for ethane;methyl N-[(6-bromoimidazo[1,2-a]pyridine-3-carbonyl)amino]carbamodithioate?
The canonical SMILES for ethane;methyl N-[(6-bromoimidazo[1,2-a]pyridine-3-carbonyl)amino]carbamodithioate is CC.CSC(=S)NNC(=O)c1cnc2ccc(Br)cn12.
What is the InChIKey of ethane;methyl N-[(6-bromoimidazo[1,2-a]pyridine-3-carbonyl)amino]carbamodithioate?
The InChIKey is JHRZFIXYQFOVNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN4OS2.C2H6/c1-18-10(17)14-13-9(16)7-4-12-8-3-2-6(11)5-15(7)8;1-2/h2-5H,1H3,(H,13,16)(H,14,17);1-2H3.
What are the key properties of ethane;methyl N-[(6-bromoimidazo[1,2-a]pyridine-3-carbonyl)amino]carbamodithioate?
ethane;methyl N-[(6-bromoimidazo[1,2-a]pyridine-3-carbonyl)amino]carbamodithioate has a molecular weight of 375.32 g/mol, XLogP of 3.01, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl N-[(6-bromoimidazo[1,2-a]pyridine-3-carbonyl)amino]carbamodithioate is sourced from PubChem (CID 91175246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).