methyl N,3-dimethylimidazo[2,1-b][1,3]thiazole-2-carboximidate

C9H11N3OS — CID 163588493

IUPACmethyl N,3-dimethylimidazo[2,1-b][1,3]thiazole-2-carboximidate
SMILESC/N=C(\OC)c1sc2nccn2c1C
InChIInChI=1S/C9H11N3OS/c1-6-7(8(10-2)13-3)14-9-11-4-5-12(6)9/h4-5H,1-3H3/b10-8-
InChIKeyGNNFZZPKWJWSLT-NTMALXAHSA-N
MW209.27 g/mol
LogP1.73
Rot. Bonds1

About methyl N,3-dimethylimidazo[2,1-b][1,3]thiazole-2-carboximidate

methyl N,3-dimethylimidazo[2,1-b][1,3]thiazole-2-carboximidate (PubChem CID 163588493) has the molecular formula C9H11N3OS and a molecular weight of 209.27 g/mol. Its IUPAC name is methyl N,3-dimethylimidazo[2,1-b][1,3]thiazole-2-carboximidate.

Molecular Properties

Compound Namemethyl N,3-dimethylimidazo[2,1-b][1,3]thiazole-2-carboximidate
PubChem CID163588493
Molecular FormulaC9H11N3OS
Molecular Weight209.27 g/mol
Exact Mass209.06
IUPAC Namemethyl N,3-dimethylimidazo[2,1-b][1,3]thiazole-2-carboximidate
SMILESC/N=C(\OC)c1sc2nccn2c1C
InChIInChI=1S/C9H11N3OS/c1-6-7(8(10-2)13-3)14-9-11-4-5-12(6)9/h4-5H,1-3H3/b10-8-
InChIKeyGNNFZZPKWJWSLT-NTMALXAHSA-N
XLogP1.73
TPSA38.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

ethyl 3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate
CID 14801951
2-methyl-1-(3-methylimidazo[2,1-b][1,3]thiazol-2-yl)propan-1-one
CID 112713651
3-methylimidazo[2,1-b][1,3]thiazole-2-carboximidamide
CID 83875469
carbanide;2,3-dimethylimidazo[2,1-b][1,3]thiazole;methane;tungsten
CID 158024246
3-methyl-N-[1-(5-methyl-1H-imidazol-2-yl)propyl]imidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 166245430
N-(4-cyanophenyl)-N-(2-methoxyethyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 71909687
3-methyl-N-[4-[2-(methylamino)ethyl]phenyl]imidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 166326490
(3-methylimidazo[2,1-b][1,3]thiazol-2-yl)methanamine
CID 82503049
3-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 82134582
N-[2-(3-methylimidazo[2,1-b][1,3]thiazole-2-carbonyl)-2-azaspiro[3.3]heptan-6-yl]-1,3-thiazole-5-carboxamide
CID 167971918
methyl 5-methylimidazo[1,2-a]pyrimidine-6-carboxylate
CID 155128992
3-(3-methylphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 82225466

Frequently Asked Questions

What is the IUPAC name of methyl N,3-dimethylimidazo[2,1-b][1,3]thiazole-2-carboximidate?
The IUPAC name of methyl N,3-dimethylimidazo[2,1-b][1,3]thiazole-2-carboximidate (CID 163588493) is methyl N,3-dimethylimidazo[2,1-b][1,3]thiazole-2-carboximidate.
What is the SMILES notation for methyl N,3-dimethylimidazo[2,1-b][1,3]thiazole-2-carboximidate?
The canonical SMILES for methyl N,3-dimethylimidazo[2,1-b][1,3]thiazole-2-carboximidate is C/N=C(\OC)c1sc2nccn2c1C.
What is the InChIKey of methyl N,3-dimethylimidazo[2,1-b][1,3]thiazole-2-carboximidate?
The InChIKey is GNNFZZPKWJWSLT-NTMALXAHSA-N. The full InChI is InChI=1S/C9H11N3OS/c1-6-7(8(10-2)13-3)14-9-11-4-5-12(6)9/h4-5H,1-3H3/b10-8-.
What are the key properties of methyl N,3-dimethylimidazo[2,1-b][1,3]thiazole-2-carboximidate?
methyl N,3-dimethylimidazo[2,1-b][1,3]thiazole-2-carboximidate has a molecular weight of 209.27 g/mol, XLogP of 1.73, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N,3-dimethylimidazo[2,1-b][1,3]thiazole-2-carboximidate is sourced from PubChem (CID 163588493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).