[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate

C14H18N4O3S — CID 18082032

IUPAC[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate
SMILESCc1nc(C)c(C(=O)OCC(=O)Nc2ccnn2C(C)C)s1
InChIInChI=1S/C14H18N4O3S/c1-8(2)18-11(5-6-15-18)17-12(19)7-21-14(20)13-9(3)16-10(4)22-13/h5-6,8H,7H2,1-4H3,(H,17,19)
InChIKeyYMRXUPYLDASNCW-UHFFFAOYSA-N
MW322.39 g/mol
LogP2.33
Rot. Bonds5

About [2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate

[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate (PubChem CID 18082032) has the molecular formula C14H18N4O3S and a molecular weight of 322.39 g/mol. Its IUPAC name is [2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate
PubChem CID18082032
Molecular FormulaC14H18N4O3S
Molecular Weight322.39 g/mol
Exact Mass322.11
IUPAC Name[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate
SMILESCc1nc(C)c(C(=O)OCC(=O)Nc2ccnn2C(C)C)s1
InChIInChI=1S/C14H18N4O3S/c1-8(2)18-11(5-6-15-18)17-12(19)7-21-14(20)13-9(3)16-10(4)22-13/h5-6,8H,7H2,1-4H3,(H,17,19)
InChIKeyYMRXUPYLDASNCW-UHFFFAOYSA-N
XLogP2.33
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate?
The IUPAC name of [2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate (CID 18082032) is [2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for [2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for [2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate is Cc1nc(C)c(C(=O)OCC(=O)Nc2ccnn2C(C)C)s1.
What is the InChIKey of [2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate?
The InChIKey is YMRXUPYLDASNCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3S/c1-8(2)18-11(5-6-15-18)17-12(19)7-21-14(20)13-9(3)16-10(4)22-13/h5-6,8H,7H2,1-4H3,(H,17,19).
What are the key properties of [2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate?
[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate has a molecular weight of 322.39 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 18082032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).