2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[[2-(propoxymethyl)phenyl]methyl]acetamide

C18H21N3O2S — CID 87006464

IUPAC2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[[2-(propoxymethyl)phenyl]methyl]acetamide
SMILESCCCOCc1ccccc1CNC(=O)Cc1cn2ccsc2n1
InChIInChI=1S/C18H21N3O2S/c1-2-8-23-13-15-6-4-3-5-14(15)11-19-17(22)10-16-12-21-7-9-24-18(21)20-16/h3-7,9,12H,2,8,10-11,13H2,1H3,(H,19,22)
InChIKeyZVPGXURXSYRCGV-UHFFFAOYSA-N
MW343.45 g/mol
LogP3.18
Rot. Bonds8

About 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[[2-(propoxymethyl)phenyl]methyl]acetamide

2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[[2-(propoxymethyl)phenyl]methyl]acetamide (PubChem CID 87006464) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[[2-(propoxymethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[[2-(propoxymethyl)phenyl]methyl]acetamide
PubChem CID87006464
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC Name2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[[2-(propoxymethyl)phenyl]methyl]acetamide
SMILESCCCOCc1ccccc1CNC(=O)Cc1cn2ccsc2n1
InChIInChI=1S/C18H21N3O2S/c1-2-8-23-13-15-6-4-3-5-14(15)11-19-17(22)10-16-12-21-7-9-24-18(21)20-16/h3-7,9,12H,2,8,10-11,13H2,1H3,(H,19,22)
InChIKeyZVPGXURXSYRCGV-UHFFFAOYSA-N
XLogP3.18
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.18
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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Related Compounds

2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(2-phenylmethoxyphenyl)methyl]acetamide
CID 55806275
1-[2-(ethoxymethyl)phenyl]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)methanamine
CID 115331528
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 17439083
N-[[2-(cyclopropylmethoxy)phenyl]methyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 71930246
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-(2-phenoxyethyl)acetamide
CID 32933501
N-[4-[[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]methyl]phenyl]butanamide
CID 55781902
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-[2-(methoxymethyl)phenyl]methanamine
CID 115331529
N-[(2,3-difluoro-4-methoxyphenyl)methyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 74238451
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(2-nitrophenyl)acetamide
CID 134027757
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-(pyridin-3-ylmethyl)acetamide
CID 35511835
methyl 3-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]propanoate
CID 60690600
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-phenylacetamide
CID 4623847

Frequently Asked Questions

What is the IUPAC name of 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[[2-(propoxymethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[[2-(propoxymethyl)phenyl]methyl]acetamide (CID 87006464) is 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[[2-(propoxymethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[[2-(propoxymethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[[2-(propoxymethyl)phenyl]methyl]acetamide is CCCOCc1ccccc1CNC(=O)Cc1cn2ccsc2n1.
What is the InChIKey of 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[[2-(propoxymethyl)phenyl]methyl]acetamide?
The InChIKey is ZVPGXURXSYRCGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S/c1-2-8-23-13-15-6-4-3-5-14(15)11-19-17(22)10-16-12-21-7-9-24-18(21)20-16/h3-7,9,12H,2,8,10-11,13H2,1H3,(H,19,22).
What are the key properties of 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[[2-(propoxymethyl)phenyl]methyl]acetamide?
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[[2-(propoxymethyl)phenyl]methyl]acetamide has a molecular weight of 343.45 g/mol, XLogP of 3.18, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[[2-(propoxymethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 87006464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).