ethyl 2-[2-[(5-ethyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetate

C18H19N5O3S — CID 39048048

IUPACethyl 2-[2-[(5-ethyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)c2cnn(-c3ccccn3)c2CC)n1
InChIInChI=1S/C18H19N5O3S/c1-3-14-13(10-20-23(14)15-7-5-6-8-19-15)17(25)22-18-21-12(11-27-18)9-16(24)26-4-2/h5-8,10-11H,3-4,9H2,1-2H3,(H,21,22,25)
InChIKeyMVJXFCZDYRVTCP-UHFFFAOYSA-N
MW385.45 g/mol
LogP2.64
Rot. Bonds7

About ethyl 2-[2-[(5-ethyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetate

ethyl 2-[2-[(5-ethyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetate (PubChem CID 39048048) has the molecular formula C18H19N5O3S and a molecular weight of 385.45 g/mol. Its IUPAC name is ethyl 2-[2-[(5-ethyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[(5-ethyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetate
PubChem CID39048048
Molecular FormulaC18H19N5O3S
Molecular Weight385.45 g/mol
Exact Mass385.12
IUPAC Nameethyl 2-[2-[(5-ethyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)c2cnn(-c3ccccn3)c2CC)n1
InChIInChI=1S/C18H19N5O3S/c1-3-14-13(10-20-23(14)15-7-5-6-8-19-15)17(25)22-18-21-12(11-27-18)9-16(24)26-4-2/h5-8,10-11H,3-4,9H2,1-2H3,(H,21,22,25)
InChIKeyMVJXFCZDYRVTCP-UHFFFAOYSA-N
XLogP2.64
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl 2-[2-[(5-ethyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetate with MolForge

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Related Compounds

5-ethyl-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-1-pyridin-2-ylpyrazole-4-carboxamide
CID 112821652
ethyl 2-[2-[(1-ethyl-5-methylpyrazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetate
CID 19280753
5-ethyl-N-(2-methylphenyl)-1-pyridin-2-ylpyrazole-4-carboxamide
CID 15944173
ethyl 2-[(5-ethyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]benzoate
CID 15944198
ethyl 2-[2-[(2-hydroxybenzoyl)amino]-1,3-thiazol-4-yl]acetate
CID 18139388
ethyl 2-[2-[(3-hydroxynaphthalene-2-carbonyl)amino]-1,3-thiazol-4-yl]acetate
CID 43019001
ethyl 2-[2-[[1-(3-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]-1,3-thiazol-4-yl]acetate
CID 24666390
5-ethyl-N-(3-methylphenyl)-1-pyridin-2-ylpyrazole-4-carboxamide
CID 15944175
5-ethyl-N-(5-fluoro-2-methylphenyl)-1-pyridin-2-ylpyrazole-4-carboxamide
CID 91885724
ethyl 2-[2-[(2,3-difluorobenzoyl)amino]-1,3-thiazol-4-yl]acetate
CID 60620680
ethyl 2-[2-[[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]amino]-1,3-thiazol-4-yl]acetate
CID 24599388
5-ethyl-N-(3-hydroxyphenyl)-1-pyridin-2-ylpyrazole-4-carboxamide
CID 91885720

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[(5-ethyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[(5-ethyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetate (CID 39048048) is ethyl 2-[2-[(5-ethyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[(5-ethyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[(5-ethyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NC(=O)c2cnn(-c3ccccn3)c2CC)n1.
What is the InChIKey of ethyl 2-[2-[(5-ethyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetate?
The InChIKey is MVJXFCZDYRVTCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3S/c1-3-14-13(10-20-23(14)15-7-5-6-8-19-15)17(25)22-18-21-12(11-27-18)9-16(24)26-4-2/h5-8,10-11H,3-4,9H2,1-2H3,(H,21,22,25).
What are the key properties of ethyl 2-[2-[(5-ethyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[(5-ethyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetate has a molecular weight of 385.45 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[(5-ethyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 39048048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).