[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetate

C26H22N4O3S — CID 4853072

IUPAC[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetate
SMILESCCn1c2ccccc2c2cc(NC(=O)COC(=O)Cc3csc(-c4ccccn4)n3)ccc21
InChIInChI=1S/C26H22N4O3S/c1-2-30-22-9-4-3-7-19(22)20-13-17(10-11-23(20)30)28-24(31)15-33-25(32)14-18-16-34-26(29-18)21-8-5-6-12-27-21/h3-13,16H,2,14-15H2,1H3,(H,28,31)
InChIKeyFZMJLPCMCKYCNZ-UHFFFAOYSA-N
MW470.55 g/mol
LogP5.06
Rot. Bonds7

About [2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetate

[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetate (PubChem CID 4853072) has the molecular formula C26H22N4O3S and a molecular weight of 470.55 g/mol. Its IUPAC name is [2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetate.

Molecular Properties

Compound Name[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetate
PubChem CID4853072
Molecular FormulaC26H22N4O3S
Molecular Weight470.55 g/mol
Exact Mass470.14
IUPAC Name[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetate
SMILESCCn1c2ccccc2c2cc(NC(=O)COC(=O)Cc3csc(-c4ccccn4)n3)ccc21
InChIInChI=1S/C26H22N4O3S/c1-2-30-22-9-4-3-7-19(22)20-13-17(10-11-23(20)30)28-24(31)15-33-25(32)14-18-16-34-26(29-18)21-8-5-6-12-27-21/h3-13,16H,2,14-15H2,1H3,(H,28,31)
InChIKeyFZMJLPCMCKYCNZ-UHFFFAOYSA-N
XLogP5.06
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.55
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetate with MolForge

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Related Compounds

[2-(4-acetamidoanilino)-2-oxoethyl] 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetate
CID 30253480
N-(3-acetylphenyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 34829771
N-(3-chloro-4-methylphenyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 30424894
[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] adamantane-1-carboxylate
CID 23990804
4-[[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]amino]benzamide
CID 26721108
[2-(3,4-difluoroanilino)-2-oxoethyl] 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetate
CID 42438100
[2-(2-chloro-4-nitroanilino)-2-oxoethyl] 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetate
CID 46815957
N-[3-(methoxymethyl)phenyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 32638534
N-[4-methyl-3-(trifluoromethyl)phenyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 16579285
[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] 2-(1-bromonaphthalen-2-yl)sulfanylacetate
CID 2371763
2-(2-pyridin-2-yl-1,3-thiazol-4-yl)-N-(4-pyrimidin-2-yloxyphenyl)acetamide
CID 55919837
[2-[2-(2,5-dimethylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetate
CID 55423443

Frequently Asked Questions

What is the IUPAC name of [2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetate?
The IUPAC name of [2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetate (CID 4853072) is [2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetate.
What is the SMILES notation for [2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetate?
The canonical SMILES for [2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetate is CCn1c2ccccc2c2cc(NC(=O)COC(=O)Cc3csc(-c4ccccn4)n3)ccc21.
What is the InChIKey of [2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetate?
The InChIKey is FZMJLPCMCKYCNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O3S/c1-2-30-22-9-4-3-7-19(22)20-13-17(10-11-23(20)30)28-24(31)15-33-25(32)14-18-16-34-26(29-18)21-8-5-6-12-27-21/h3-13,16H,2,14-15H2,1H3,(H,28,31).
What are the key properties of [2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetate?
[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetate has a molecular weight of 470.55 g/mol, XLogP of 5.06, 7 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-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetate is sourced from PubChem (CID 4853072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).