[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate

C23H20N4O3S — CID 2999806

IUPAC[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate
SMILESCCn1c2ccccc2c2cc(NC(=O)COC(=O)Cc3cn4ccsc4n3)ccc21
InChIInChI=1S/C23H20N4O3S/c1-2-27-19-6-4-3-5-17(19)18-11-15(7-8-20(18)27)24-21(28)14-30-22(29)12-16-13-26-9-10-31-23(26)25-16/h3-11,13H,2,12,14H2,1H3,(H,24,28)
InChIKeyNTYCYEMPFQBVAJ-UHFFFAOYSA-N
MW432.51 g/mol
LogP4.25
Rot. Bonds6

About [2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate

[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate (PubChem CID 2999806) has the molecular formula C23H20N4O3S and a molecular weight of 432.51 g/mol. Its IUPAC name is [2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate.

Molecular Properties

Compound Name[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate
PubChem CID2999806
Molecular FormulaC23H20N4O3S
Molecular Weight432.51 g/mol
Exact Mass432.13
IUPAC Name[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate
SMILESCCn1c2ccccc2c2cc(NC(=O)COC(=O)Cc3cn4ccsc4n3)ccc21
InChIInChI=1S/C23H20N4O3S/c1-2-27-19-6-4-3-5-17(19)18-11-15(7-8-20(18)27)24-21(28)14-30-22(29)12-16-13-26-9-10-31-23(26)25-16/h3-11,13H,2,12,14H2,1H3,(H,24,28)
InChIKeyNTYCYEMPFQBVAJ-UHFFFAOYSA-N
XLogP4.25
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.51
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate with MolForge

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Related Compounds

2-(6-Imidazo[2,1-b]thiazolyl)acetic acid [2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] ester
CID 2998514
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[2-(6-methyl-1H-indol-3-yl)ethyl]acetamide
CID 51104134
[2-(3-Ethylanilino)-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate
CID 4243740
[2-(2,3-Dihydroindol-1-yl)-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate
CID 4560658
[(3Z)-2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate
CID 5858226
N-(3-(imidazo[2,1-b]thiazol-6-yl)phenyl)-2-(1H-indol-1-yl)acetamide
CID 45497443
US20240208998, Example 28
CID 166058000
[2-Oxo-2-[3-(trifluoromethyl)anilino]ethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate
CID 4464199
[2-(3-Fluoro-4-methylanilino)-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate
CID 8816583
[2-Oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate
CID 8817858
[2-Oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate
CID 8817942
[(2S)-1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate
CID 8818058

Frequently Asked Questions

What is the IUPAC name of [2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate?
The IUPAC name of [2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate (CID 2999806) is [2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate.
What is the SMILES notation for [2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate?
The canonical SMILES for [2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate is CCn1c2ccccc2c2cc(NC(=O)COC(=O)Cc3cn4ccsc4n3)ccc21.
What is the InChIKey of [2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate?
The InChIKey is NTYCYEMPFQBVAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O3S/c1-2-27-19-6-4-3-5-17(19)18-11-15(7-8-20(18)27)24-21(28)14-30-22(29)12-16-13-26-9-10-31-23(26)25-16/h3-11,13H,2,12,14H2,1H3,(H,24,28).
What are the key properties of [2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate?
[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate has a molecular weight of 432.51 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate is sourced from PubChem (CID 2999806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).