ethyl 2-[[1-(oxan-2-yl)pyrazol-4-yl]amino]-1,3-thiazole-4-carboxylate

C14H18N4O3S — CID 171636974

IUPACethyl 2-[[1-(oxan-2-yl)pyrazol-4-yl]amino]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(Nc2cnn(C3CCCCO3)c2)n1
InChIInChI=1S/C14H18N4O3S/c1-2-20-13(19)11-9-22-14(17-11)16-10-7-15-18(8-10)12-5-3-4-6-21-12/h7-9,12H,2-6H2,1H3,(H,16,17)
InChIKeyPQZSYMUUVOIJIS-UHFFFAOYSA-N
MW322.39 g/mol
LogP2.96
Rot. Bonds5

About ethyl 2-[[1-(oxan-2-yl)pyrazol-4-yl]amino]-1,3-thiazole-4-carboxylate

ethyl 2-[[1-(oxan-2-yl)pyrazol-4-yl]amino]-1,3-thiazole-4-carboxylate (PubChem CID 171636974) has the molecular formula C14H18N4O3S and a molecular weight of 322.39 g/mol. Its IUPAC name is ethyl 2-[[1-(oxan-2-yl)pyrazol-4-yl]amino]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[1-(oxan-2-yl)pyrazol-4-yl]amino]-1,3-thiazole-4-carboxylate
PubChem CID171636974
Molecular FormulaC14H18N4O3S
Molecular Weight322.39 g/mol
Exact Mass322.11
IUPAC Nameethyl 2-[[1-(oxan-2-yl)pyrazol-4-yl]amino]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(Nc2cnn(C3CCCCO3)c2)n1
InChIInChI=1S/C14H18N4O3S/c1-2-20-13(19)11-9-22-14(17-11)16-10-7-15-18(8-10)12-5-3-4-6-21-12/h7-9,12H,2-6H2,1H3,(H,16,17)
InChIKeyPQZSYMUUVOIJIS-UHFFFAOYSA-N
XLogP2.96
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[1-(oxan-2-yl)pyrazol-4-yl]amino]-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-[[1-(oxan-2-yl)pyrazol-4-yl]amino]-1,3-thiazole-4-carboxylate (CID 171636974) is ethyl 2-[[1-(oxan-2-yl)pyrazol-4-yl]amino]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[[1-(oxan-2-yl)pyrazol-4-yl]amino]-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-[[1-(oxan-2-yl)pyrazol-4-yl]amino]-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(Nc2cnn(C3CCCCO3)c2)n1.
What is the InChIKey of ethyl 2-[[1-(oxan-2-yl)pyrazol-4-yl]amino]-1,3-thiazole-4-carboxylate?
The InChIKey is PQZSYMUUVOIJIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3S/c1-2-20-13(19)11-9-22-14(17-11)16-10-7-15-18(8-10)12-5-3-4-6-21-12/h7-9,12H,2-6H2,1H3,(H,16,17).
What are the key properties of ethyl 2-[[1-(oxan-2-yl)pyrazol-4-yl]amino]-1,3-thiazole-4-carboxylate?
ethyl 2-[[1-(oxan-2-yl)pyrazol-4-yl]amino]-1,3-thiazole-4-carboxylate has a molecular weight of 322.39 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[1-(oxan-2-yl)pyrazol-4-yl]amino]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 171636974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).