N,N-diethyl-6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide

C18H21N3O2S — CID 3238337

IUPACN,N-diethyl-6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide
SMILESCCN(CC)C(=O)c1sc2nc(-c3ccc(OC)cc3)cn2c1C
InChIInChI=1S/C18H21N3O2S/c1-5-20(6-2)17(22)16-12(3)21-11-15(19-18(21)24-16)13-7-9-14(23-4)10-8-13/h7-11H,5-6H2,1-4H3
InChIKeyRBRUMPCINOYADS-UHFFFAOYSA-N
MW343.45 g/mol
LogP3.86
Rot. Bonds5

About N,N-diethyl-6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide

N,N-diethyl-6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide (PubChem CID 3238337) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is N,N-diethyl-6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide
PubChem CID3238337
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC NameN,N-diethyl-6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide
SMILESCCN(CC)C(=O)c1sc2nc(-c3ccc(OC)cc3)cn2c1C
InChIInChI=1S/C18H21N3O2S/c1-5-20(6-2)17(22)16-12(3)21-11-15(19-18(21)24-16)13-7-9-14(23-4)10-8-13/h7-11H,5-6H2,1-4H3
InChIKeyRBRUMPCINOYADS-UHFFFAOYSA-N
XLogP3.86
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide?
The IUPAC name of N,N-diethyl-6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide (CID 3238337) is N,N-diethyl-6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide.
What is the SMILES notation for N,N-diethyl-6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide?
The canonical SMILES for N,N-diethyl-6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide is CCN(CC)C(=O)c1sc2nc(-c3ccc(OC)cc3)cn2c1C.
What is the InChIKey of N,N-diethyl-6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide?
The InChIKey is RBRUMPCINOYADS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S/c1-5-20(6-2)17(22)16-12(3)21-11-15(19-18(21)24-16)13-7-9-14(23-4)10-8-13/h7-11H,5-6H2,1-4H3.
What are the key properties of N,N-diethyl-6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide?
N,N-diethyl-6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide has a molecular weight of 343.45 g/mol, XLogP of 3.86, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide is sourced from PubChem (CID 3238337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).