N-[3,4-bis(4-chlorophenyl)butan-2-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide

C23H21Cl2N3OS — CID 23404768

IUPACN-[3,4-bis(4-chlorophenyl)butan-2-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
SMILESCC(NC(=O)Cc1cn2ccsc2n1)C(Cc1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C23H21Cl2N3OS/c1-15(26-22(29)13-20-14-28-10-11-30-23(28)27-20)21(17-4-8-19(25)9-5-17)12-16-2-6-18(24)7-3-16/h2-11,14-15,21H,12-13H2,1H3,(H,26,29)
InChIKeyRIUGTXCAWPJOQL-UHFFFAOYSA-N
MW458.41 g/mol
LogP5.78
Rot. Bonds7

About N-[3,4-bis(4-chlorophenyl)butan-2-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide

N-[3,4-bis(4-chlorophenyl)butan-2-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide (PubChem CID 23404768) has the molecular formula C23H21Cl2N3OS and a molecular weight of 458.41 g/mol. Its IUPAC name is N-[3,4-bis(4-chlorophenyl)butan-2-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide.

Molecular Properties

Compound NameN-[3,4-bis(4-chlorophenyl)butan-2-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
PubChem CID23404768
Molecular FormulaC23H21Cl2N3OS
Molecular Weight458.41 g/mol
Exact Mass457.08
IUPAC NameN-[3,4-bis(4-chlorophenyl)butan-2-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
SMILESCC(NC(=O)Cc1cn2ccsc2n1)C(Cc1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C23H21Cl2N3OS/c1-15(26-22(29)13-20-14-28-10-11-30-23(28)27-20)21(17-4-8-19(25)9-5-17)12-16-2-6-18(24)7-3-16/h2-11,14-15,21H,12-13H2,1H3,(H,26,29)
InChIKeyRIUGTXCAWPJOQL-UHFFFAOYSA-N
XLogP5.78
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.41
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenyl)-N'-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)acetohydrazide
CID 27683802
[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate
CID 8818095
N-(4-chlorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 5057213
(1S)-1-(4-chlorophenyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)ethanamine
CID 115331754
N-[3,4-bis(4-chlorophenyl)butan-2-yl]-3-methylbutanamide
CID 10237327
N-[2-(4-chlorophenyl)sulfanylethyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 17423299
N-[2-(4-chlorophenoxy)ethyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 31336221
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]acetamide
CID 25351863
N-[3,4-bis(4-chlorophenyl)butan-2-yl]-3-(4-chlorophenyl)-2-methylpropanamide
CID 22270527
N-[(2R,3R)-3,4-bis(4-chlorophenyl)butan-2-yl]-2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetamide
CID 70997075
methyl 3-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]-3-(4-methylphenyl)propanoate
CID 51257249
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(Z)-1-phenylethylideneamino]acetamide
CID 6005008

Frequently Asked Questions

What is the IUPAC name of N-[3,4-bis(4-chlorophenyl)butan-2-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide?
The IUPAC name of N-[3,4-bis(4-chlorophenyl)butan-2-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide (CID 23404768) is N-[3,4-bis(4-chlorophenyl)butan-2-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide.
What is the SMILES notation for N-[3,4-bis(4-chlorophenyl)butan-2-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide?
The canonical SMILES for N-[3,4-bis(4-chlorophenyl)butan-2-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide is CC(NC(=O)Cc1cn2ccsc2n1)C(Cc1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of N-[3,4-bis(4-chlorophenyl)butan-2-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide?
The InChIKey is RIUGTXCAWPJOQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21Cl2N3OS/c1-15(26-22(29)13-20-14-28-10-11-30-23(28)27-20)21(17-4-8-19(25)9-5-17)12-16-2-6-18(24)7-3-16/h2-11,14-15,21H,12-13H2,1H3,(H,26,29).
What are the key properties of N-[3,4-bis(4-chlorophenyl)butan-2-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide?
N-[3,4-bis(4-chlorophenyl)butan-2-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide has a molecular weight of 458.41 g/mol, XLogP of 5.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,4-bis(4-chlorophenyl)butan-2-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide is sourced from PubChem (CID 23404768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).