ethyl 2-[4-[[(4R)-3-acetyl-1,3-thiazolidine-4-carbonyl]amino]pyrazol-1-yl]-2-methylpropanoate

C15H22N4O4S — CID 97232682

IUPACethyl 2-[4-[[(4R)-3-acetyl-1,3-thiazolidine-4-carbonyl]amino]pyrazol-1-yl]-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)n1cc(NC(=O)[C@@H]2CSCN2C(C)=O)cn1
InChIInChI=1S/C15H22N4O4S/c1-5-23-14(22)15(3,4)19-7-11(6-16-19)17-13(21)12-8-24-9-18(12)10(2)20/h6-7,12H,5,8-9H2,1-4H3,(H,17,21)/t12-/m0/s1
InChIKeyIDBKHEFBQYIZTE-LBPRGKRZSA-N
MW354.43 g/mol
LogP1.04
Rot. Bonds5

About ethyl 2-[4-[[(4R)-3-acetyl-1,3-thiazolidine-4-carbonyl]amino]pyrazol-1-yl]-2-methylpropanoate

ethyl 2-[4-[[(4R)-3-acetyl-1,3-thiazolidine-4-carbonyl]amino]pyrazol-1-yl]-2-methylpropanoate (PubChem CID 97232682) has the molecular formula C15H22N4O4S and a molecular weight of 354.43 g/mol. Its IUPAC name is ethyl 2-[4-[[(4R)-3-acetyl-1,3-thiazolidine-4-carbonyl]amino]pyrazol-1-yl]-2-methylpropanoate.

Molecular Properties

Compound Nameethyl 2-[4-[[(4R)-3-acetyl-1,3-thiazolidine-4-carbonyl]amino]pyrazol-1-yl]-2-methylpropanoate
PubChem CID97232682
Molecular FormulaC15H22N4O4S
Molecular Weight354.43 g/mol
Exact Mass354.14
IUPAC Nameethyl 2-[4-[[(4R)-3-acetyl-1,3-thiazolidine-4-carbonyl]amino]pyrazol-1-yl]-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)n1cc(NC(=O)[C@@H]2CSCN2C(C)=O)cn1
InChIInChI=1S/C15H22N4O4S/c1-5-23-14(22)15(3,4)19-7-11(6-16-19)17-13(21)12-8-24-9-18(12)10(2)20/h6-7,12H,5,8-9H2,1-4H3,(H,17,21)/t12-/m0/s1
InChIKeyIDBKHEFBQYIZTE-LBPRGKRZSA-N
XLogP1.04
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[[(4R)-3-acetyl-1,3-thiazolidine-4-carbonyl]amino]pyrazol-1-yl]-2-methylpropanoate?
The IUPAC name of ethyl 2-[4-[[(4R)-3-acetyl-1,3-thiazolidine-4-carbonyl]amino]pyrazol-1-yl]-2-methylpropanoate (CID 97232682) is ethyl 2-[4-[[(4R)-3-acetyl-1,3-thiazolidine-4-carbonyl]amino]pyrazol-1-yl]-2-methylpropanoate.
What is the SMILES notation for ethyl 2-[4-[[(4R)-3-acetyl-1,3-thiazolidine-4-carbonyl]amino]pyrazol-1-yl]-2-methylpropanoate?
The canonical SMILES for ethyl 2-[4-[[(4R)-3-acetyl-1,3-thiazolidine-4-carbonyl]amino]pyrazol-1-yl]-2-methylpropanoate is CCOC(=O)C(C)(C)n1cc(NC(=O)[C@@H]2CSCN2C(C)=O)cn1.
What is the InChIKey of ethyl 2-[4-[[(4R)-3-acetyl-1,3-thiazolidine-4-carbonyl]amino]pyrazol-1-yl]-2-methylpropanoate?
The InChIKey is IDBKHEFBQYIZTE-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H22N4O4S/c1-5-23-14(22)15(3,4)19-7-11(6-16-19)17-13(21)12-8-24-9-18(12)10(2)20/h6-7,12H,5,8-9H2,1-4H3,(H,17,21)/t12-/m0/s1.
What are the key properties of ethyl 2-[4-[[(4R)-3-acetyl-1,3-thiazolidine-4-carbonyl]amino]pyrazol-1-yl]-2-methylpropanoate?
ethyl 2-[4-[[(4R)-3-acetyl-1,3-thiazolidine-4-carbonyl]amino]pyrazol-1-yl]-2-methylpropanoate has a molecular weight of 354.43 g/mol, XLogP of 1.04, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[[(4R)-3-acetyl-1,3-thiazolidine-4-carbonyl]amino]pyrazol-1-yl]-2-methylpropanoate is sourced from PubChem (CID 97232682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).