N-(2-methoxyethyl)-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide

C16H17N3O2S — CID 3244317

IUPACN-(2-methoxyethyl)-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide
SMILESCOCCNC(=O)c1sc2nc(-c3ccccc3)cn2c1C
InChIInChI=1S/C16H17N3O2S/c1-11-14(15(20)17-8-9-21-2)22-16-18-13(10-19(11)16)12-6-4-3-5-7-12/h3-7,10H,8-9H2,1-2H3,(H,17,20)
InChIKeySTMKVKNLRVBZLL-UHFFFAOYSA-N
MW315.40 g/mol
LogP2.75
Rot. Bonds5

About N-(2-methoxyethyl)-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide

N-(2-methoxyethyl)-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide (PubChem CID 3244317) has the molecular formula C16H17N3O2S and a molecular weight of 315.40 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide
PubChem CID3244317
Molecular FormulaC16H17N3O2S
Molecular Weight315.40 g/mol
Exact Mass315.10
IUPAC NameN-(2-methoxyethyl)-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide
SMILESCOCCNC(=O)c1sc2nc(-c3ccccc3)cn2c1C
InChIInChI=1S/C16H17N3O2S/c1-11-14(15(20)17-8-9-21-2)22-16-18-13(10-19(11)16)12-6-4-3-5-7-12/h3-7,10H,8-9H2,1-2H3,(H,17,20)
InChIKeySTMKVKNLRVBZLL-UHFFFAOYSA-N
XLogP2.75
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide (CID 3244317) is N-(2-methoxyethyl)-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide is COCCNC(=O)c1sc2nc(-c3ccccc3)cn2c1C.
What is the InChIKey of N-(2-methoxyethyl)-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide?
The InChIKey is STMKVKNLRVBZLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2S/c1-11-14(15(20)17-8-9-21-2)22-16-18-13(10-19(11)16)12-6-4-3-5-7-12/h3-7,10H,8-9H2,1-2H3,(H,17,20).
What are the key properties of N-(2-methoxyethyl)-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide?
N-(2-methoxyethyl)-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide has a molecular weight of 315.40 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide is sourced from PubChem (CID 3244317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).