N-[(3-ethylimidazol-4-yl)methyl]-6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide

C19H19N5O2S — CID 56743029

IUPACN-[(3-ethylimidazol-4-yl)methyl]-6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCCn1cncc1CNC(=O)c1csc2nc(-c3cccc(OC)c3)cn12
InChIInChI=1S/C19H19N5O2S/c1-3-23-12-20-8-14(23)9-21-18(25)17-11-27-19-22-16(10-24(17)19)13-5-4-6-15(7-13)26-2/h4-8,10-12H,3,9H2,1-2H3,(H,21,25)
InChIKeyNQXRUAHGFJMUMU-UHFFFAOYSA-N
MW381.46 g/mol
LogP3.22
Rot. Bonds6

About N-[(3-ethylimidazol-4-yl)methyl]-6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide

N-[(3-ethylimidazol-4-yl)methyl]-6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide (PubChem CID 56743029) has the molecular formula C19H19N5O2S and a molecular weight of 381.46 g/mol. Its IUPAC name is N-[(3-ethylimidazol-4-yl)methyl]-6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3-ethylimidazol-4-yl)methyl]-6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
PubChem CID56743029
Molecular FormulaC19H19N5O2S
Molecular Weight381.46 g/mol
Exact Mass381.13
IUPAC NameN-[(3-ethylimidazol-4-yl)methyl]-6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCCn1cncc1CNC(=O)c1csc2nc(-c3cccc(OC)c3)cn12
InChIInChI=1S/C19H19N5O2S/c1-3-23-12-20-8-14(23)9-21-18(25)17-11-27-19-22-16(10-24(17)19)13-5-4-6-15(7-13)26-2/h4-8,10-12H,3,9H2,1-2H3,(H,21,25)
InChIKeyNQXRUAHGFJMUMU-UHFFFAOYSA-N
XLogP3.22
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(3E)-5-methoxy-3-[(6-pyridin-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one
CID 56963903
N,N-diethyl-6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 3238337
N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]-3-(trifluoromethoxy)benzamide
CID 25232166
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 44480618
4-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-[2-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethyl]pyrimidin-2-amine
CID 138631859
N-[2-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethyl]-4-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-amine
CID 138632016
N-[2-(5-benzyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethyl]-4-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-amine
CID 138632022
4-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-[2-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)ethyl]pyrimidin-2-amine
CID 139307684
N-[2-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)ethyl]-4-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-amine
CID 139307731
3,4-dimethoxy-N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]benzamide
CID 3238659
6-(4-methoxyphenyl)-3-methyl-N-(2-morpholin-4-ylethyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 3241138
N-isopropyl-6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 3241505

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethylimidazol-4-yl)methyl]-6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The IUPAC name of N-[(3-ethylimidazol-4-yl)methyl]-6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide (CID 56743029) is N-[(3-ethylimidazol-4-yl)methyl]-6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide.
What is the SMILES notation for N-[(3-ethylimidazol-4-yl)methyl]-6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The canonical SMILES for N-[(3-ethylimidazol-4-yl)methyl]-6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide is CCn1cncc1CNC(=O)c1csc2nc(-c3cccc(OC)c3)cn12.
What is the InChIKey of N-[(3-ethylimidazol-4-yl)methyl]-6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The InChIKey is NQXRUAHGFJMUMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2S/c1-3-23-12-20-8-14(23)9-21-18(25)17-11-27-19-22-16(10-24(17)19)13-5-4-6-15(7-13)26-2/h4-8,10-12H,3,9H2,1-2H3,(H,21,25).
What are the key properties of N-[(3-ethylimidazol-4-yl)methyl]-6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide?
N-[(3-ethylimidazol-4-yl)methyl]-6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide has a molecular weight of 381.46 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethylimidazol-4-yl)methyl]-6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide is sourced from PubChem (CID 56743029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).