2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]acetamide

C18H17N5OS — CID 25351863

IUPAC2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]acetamide
SMILESC[C@@H](NC(=O)Cc1cn2ccsc2n1)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C18H17N5OS/c1-13(14-2-4-16(5-3-14)23-7-6-19-12-23)20-17(24)10-15-11-22-8-9-25-18(22)21-15/h2-9,11-13H,10H2,1H3,(H,20,24)/t13-/m1/s1
InChIKeyCWSAQQLUUHCXRP-CYBMUJFWSA-N
MW351.44 g/mol
LogP3.00
Rot. Bonds5

About 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]acetamide

2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]acetamide (PubChem CID 25351863) has the molecular formula C18H17N5OS and a molecular weight of 351.44 g/mol. Its IUPAC name is 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]acetamide
PubChem CID25351863
Molecular FormulaC18H17N5OS
Molecular Weight351.44 g/mol
Exact Mass351.12
IUPAC Name2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]acetamide
SMILESC[C@@H](NC(=O)Cc1cn2ccsc2n1)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C18H17N5OS/c1-13(14-2-4-16(5-3-14)23-7-6-19-12-23)20-17(24)10-15-11-22-8-9-25-18(22)21-15/h2-9,11-13H,10H2,1H3,(H,20,24)/t13-/m1/s1
InChIKeyCWSAQQLUUHCXRP-CYBMUJFWSA-N
XLogP3.00
TPSA64.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.44
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]acetamide with MolForge

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Related Compounds

N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 46653778
N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 40718331
N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 41119508
N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-naphthalen-2-ylacetamide
CID 43003584
1,3-bis[1-(4-imidazol-1-ylphenyl)ethyl]urea
CID 174999274
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]acetamide
CID 46432216
[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate
CID 8818095
N-[1-(3-ethoxyphenyl)ethyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 51097716
3-(2-hydroxyphenyl)-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]propanamide
CID 27812010
(3R)-3-acetamido-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-3-thiophen-2-ylpropanamide
CID 29430333
N-[1-(4-imidazol-1-ylphenyl)ethyl]thiophene-2-carboxamide
CID 4787429
N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]thiophene-3-carboxamide
CID 27812115

Frequently Asked Questions

What is the IUPAC name of 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]acetamide?
The IUPAC name of 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]acetamide (CID 25351863) is 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]acetamide?
The canonical SMILES for 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]acetamide is C[C@@H](NC(=O)Cc1cn2ccsc2n1)c1ccc(-n2ccnc2)cc1.
What is the InChIKey of 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]acetamide?
The InChIKey is CWSAQQLUUHCXRP-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H17N5OS/c1-13(14-2-4-16(5-3-14)23-7-6-19-12-23)20-17(24)10-15-11-22-8-9-25-18(22)21-15/h2-9,11-13H,10H2,1H3,(H,20,24)/t13-/m1/s1.
What are the key properties of 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]acetamide?
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]acetamide has a molecular weight of 351.44 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]acetamide is sourced from PubChem (CID 25351863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).