N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]propanamide

C20H21N5O3S — CID 25274560

IUPACN-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]propanamide
SMILESCOc1ccc(CCc2nnc(CCC(=O)NCc3cn4ccsc4n3)o2)cc1
InChIInChI=1S/C20H21N5O3S/c1-27-16-5-2-14(3-6-16)4-8-18-23-24-19(28-18)9-7-17(26)21-12-15-13-25-10-11-29-20(25)22-15/h2-3,5-6,10-11,13H,4,7-9,12H2,1H3,(H,21,26)
InChIKeyYILFJEBHKOXUTH-UHFFFAOYSA-N
MW411.49 g/mol
LogP2.82
Rot. Bonds9

About N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]propanamide

N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]propanamide (PubChem CID 25274560) has the molecular formula C20H21N5O3S and a molecular weight of 411.49 g/mol. Its IUPAC name is N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]propanamide.

Molecular Properties

Compound NameN-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]propanamide
PubChem CID25274560
Molecular FormulaC20H21N5O3S
Molecular Weight411.49 g/mol
Exact Mass411.14
IUPAC NameN-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]propanamide
SMILESCOc1ccc(CCc2nnc(CCC(=O)NCc3cn4ccsc4n3)o2)cc1
InChIInChI=1S/C20H21N5O3S/c1-27-16-5-2-14(3-6-16)4-8-18-23-24-19(28-18)9-7-17(26)21-12-15-13-25-10-11-29-20(25)22-15/h2-3,5-6,10-11,13H,4,7-9,12H2,1H3,(H,21,26)
InChIKeyYILFJEBHKOXUTH-UHFFFAOYSA-N
XLogP2.82
TPSA94.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.49
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(4-methoxyphenoxy)acetamide
CID 134027741
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate
CID 8818035
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]propanamide
CID 25377787
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methoxybenzamide
CID 3658662
4-(3-fluoro-4-methoxyphenyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)butanamide
CID 71858963
N-(3-ethoxypropyl)-3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]propanamide
CID 42458281
N-[(5-chloro-1H-indol-2-yl)methyl]-3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]propanamide
CID 42288429
3-(4-methoxyphenyl)-N-[(6-methylpyridazin-3-yl)methyl]propanamide
CID 110737936
3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-[(4-methoxyphenyl)methyl]-1,2-dimethylguanidine
CID 111271623
[(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate
CID 8817022
3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 898309
methyl 5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazole-2-carboxylate
CID 112618989

Frequently Asked Questions

What is the IUPAC name of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]propanamide?
The IUPAC name of 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) is N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]propanamide.
What is the SMILES notation for N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]propanamide?
The canonical SMILES for N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]propanamide is COc1ccc(CCc2nnc(CCC(=O)NCc3cn4ccsc4n3)o2)cc1.
What is the InChIKey of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]propanamide?
The InChIKey is YILFJEBHKOXUTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O3S/c1-27-16-5-2-14(3-6-16)4-8-18-23-24-19(28-18)9-7-17(26)21-12-15-13-25-10-11-29-20(25)22-15/h2-3,5-6,10-11,13H,4,7-9,12H2,1H3,(H,21,26).
What are the key properties of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]propanamide?
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]propanamide has a molecular weight of 411.49 g/mol, XLogP of 2.82, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]propanamide is sourced from PubChem (CID 25274560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).