N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(4-methoxyphenoxy)acetamide

C15H15N3O3S — CID 134027741

IUPACN-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(4-methoxyphenoxy)acetamide
SMILESCOc1ccc(OCC(=O)NCc2cn3ccsc3n2)cc1
InChIInChI=1S/C15H15N3O3S/c1-20-12-2-4-13(5-3-12)21-10-14(19)16-8-11-9-18-6-7-22-15(18)17-11/h2-7,9H,8,10H2,1H3,(H,16,19)
InChIKeyXQTDCCVXFKVCQF-UHFFFAOYSA-N
MW317.37 g/mol
LogP2.10
Rot. Bonds6

About N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(4-methoxyphenoxy)acetamide

N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(4-methoxyphenoxy)acetamide (PubChem CID 134027741) has the molecular formula C15H15N3O3S and a molecular weight of 317.37 g/mol. Its IUPAC name is N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(4-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(4-methoxyphenoxy)acetamide
PubChem CID134027741
Molecular FormulaC15H15N3O3S
Molecular Weight317.37 g/mol
Exact Mass317.08
IUPAC NameN-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(4-methoxyphenoxy)acetamide
SMILESCOc1ccc(OCC(=O)NCc2cn3ccsc3n2)cc1
InChIInChI=1S/C15H15N3O3S/c1-20-12-2-4-13(5-3-12)21-10-14(19)16-8-11-9-18-6-7-22-15(18)17-11/h2-7,9H,8,10H2,1H3,(H,16,19)
InChIKeyXQTDCCVXFKVCQF-UHFFFAOYSA-N
XLogP2.10
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methoxybenzamide
CID 3658662
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate
CID 8818035
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]propanamide
CID 25274560
2-(4-methoxyphenoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
CID 23612988
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 18113438
[2-(4-methoxyphenyl)-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate
CID 3595564
3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-[(4-methoxyphenyl)methyl]-1,2-dimethylguanidine
CID 111271623
1-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)-4-methoxyphenyl]ethanone
CID 82002993
[(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate
CID 8817022
N-[(2,3-difluoro-4-methoxyphenyl)methyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 74238451
2-(4-methoxyphenoxy)-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 32959031
4-(3-fluoro-4-methoxyphenyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)butanamide
CID 71858963

Frequently Asked Questions

What is the IUPAC name of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(4-methoxyphenoxy)acetamide?
The IUPAC name of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(4-methoxyphenoxy)acetamide (CID 134027741) is N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(4-methoxyphenoxy)acetamide.
What is the SMILES notation for N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(4-methoxyphenoxy)acetamide?
The canonical SMILES for N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(4-methoxyphenoxy)acetamide is COc1ccc(OCC(=O)NCc2cn3ccsc3n2)cc1.
What is the InChIKey of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(4-methoxyphenoxy)acetamide?
The InChIKey is XQTDCCVXFKVCQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3S/c1-20-12-2-4-13(5-3-12)21-10-14(19)16-8-11-9-18-6-7-22-15(18)17-11/h2-7,9H,8,10H2,1H3,(H,16,19).
What are the key properties of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(4-methoxyphenoxy)acetamide?
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(4-methoxyphenoxy)acetamide has a molecular weight of 317.37 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(4-methoxyphenoxy)acetamide is sourced from PubChem (CID 134027741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).