[2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 5-ethyl-1-pyridin-2-ylpyrazole-4-carboxylate

C23H21N5O3S — CID 55649220

IUPAC[2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 5-ethyl-1-pyridin-2-ylpyrazole-4-carboxylate
SMILESCCc1c(C(=O)OCc2csc(N(C(C)=O)c3ccccc3)n2)cnn1-c1ccccn1
InChIInChI=1S/C23H21N5O3S/c1-3-20-19(13-25-28(20)21-11-7-8-12-24-21)22(30)31-14-17-15-32-23(26-17)27(16(2)29)18-9-5-4-6-10-18/h4-13,15H,3,14H2,1-2H3
InChIKeyWFVQARYIUZSCGJ-UHFFFAOYSA-N
MW447.52 g/mol
LogP4.33
Rot. Bonds7

About [2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 5-ethyl-1-pyridin-2-ylpyrazole-4-carboxylate

[2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 5-ethyl-1-pyridin-2-ylpyrazole-4-carboxylate (PubChem CID 55649220) has the molecular formula C23H21N5O3S and a molecular weight of 447.52 g/mol. Its IUPAC name is [2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 5-ethyl-1-pyridin-2-ylpyrazole-4-carboxylate.

Molecular Properties

Compound Name[2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 5-ethyl-1-pyridin-2-ylpyrazole-4-carboxylate
PubChem CID55649220
Molecular FormulaC23H21N5O3S
Molecular Weight447.52 g/mol
Exact Mass447.14
IUPAC Name[2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 5-ethyl-1-pyridin-2-ylpyrazole-4-carboxylate
SMILESCCc1c(C(=O)OCc2csc(N(C(C)=O)c3ccccc3)n2)cnn1-c1ccccn1
InChIInChI=1S/C23H21N5O3S/c1-3-20-19(13-25-28(20)21-11-7-8-12-24-21)22(30)31-14-17-15-32-23(26-17)27(16(2)29)18-9-5-4-6-10-18/h4-13,15H,3,14H2,1-2H3
InChIKeyWFVQARYIUZSCGJ-UHFFFAOYSA-N
XLogP4.33
TPSA90.21 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.52
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

[2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 2-hydroxybenzoate
CID 7797536
2-O-[[2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl] 1-O-methyl benzene-1,2-dicarboxylate
CID 56505745
[2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl pyridine-4-carboxylate
CID 7783579
[2-(N-acetyl-4-ethylanilino)-1,3-thiazol-4-yl]methyl 1,5-dimethylpyrazole-4-carboxylate
CID 35840320
[2-(N-acetyl-4-ethylanilino)-1,3-thiazol-4-yl]methyl benzoate
CID 7868354
[2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 4-(2-amino-2-oxoethoxy)benzoate
CID 18092682
[2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 5-chloro-2-fluorobenzoate
CID 8624757
[2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylate
CID 41406540
5-ethyl-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-pyridin-2-ylpyrazole-4-carboxamide
CID 86853859
[2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 4-(dimethylamino)benzoate
CID 8532550
(4-benzylsulfanylphenyl)methyl 5-ethyl-1-pyridin-2-ylpyrazole-4-carboxylate
CID 166336013
[2-(N-acetyl-4-ethylanilino)-1,3-thiazol-4-yl]methyl 2-ethylsulfinylbenzoate
CID 55374885

Frequently Asked Questions

What is the IUPAC name of [2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 5-ethyl-1-pyridin-2-ylpyrazole-4-carboxylate?
The IUPAC name of [2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 5-ethyl-1-pyridin-2-ylpyrazole-4-carboxylate (CID 55649220) is [2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 5-ethyl-1-pyridin-2-ylpyrazole-4-carboxylate.
What is the SMILES notation for [2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 5-ethyl-1-pyridin-2-ylpyrazole-4-carboxylate?
The canonical SMILES for [2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 5-ethyl-1-pyridin-2-ylpyrazole-4-carboxylate is CCc1c(C(=O)OCc2csc(N(C(C)=O)c3ccccc3)n2)cnn1-c1ccccn1.
What is the InChIKey of [2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 5-ethyl-1-pyridin-2-ylpyrazole-4-carboxylate?
The InChIKey is WFVQARYIUZSCGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O3S/c1-3-20-19(13-25-28(20)21-11-7-8-12-24-21)22(30)31-14-17-15-32-23(26-17)27(16(2)29)18-9-5-4-6-10-18/h4-13,15H,3,14H2,1-2H3.
What are the key properties of [2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 5-ethyl-1-pyridin-2-ylpyrazole-4-carboxylate?
[2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 5-ethyl-1-pyridin-2-ylpyrazole-4-carboxylate has a molecular weight of 447.52 g/mol, XLogP of 4.33, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 5-ethyl-1-pyridin-2-ylpyrazole-4-carboxylate is sourced from PubChem (CID 55649220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).