[2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methyl 5-phenylpyrazolidine-3-carboxylate

C18H22N4O3S — CID 52987016

IUPAC[2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methyl 5-phenylpyrazolidine-3-carboxylate
SMILESCCN(C(C)=O)c1nc(COC(=O)C2CC(c3ccccc3)NN2)cs1
InChIInChI=1S/C18H22N4O3S/c1-3-22(12(2)23)18-19-14(11-26-18)10-25-17(24)16-9-15(20-21-16)13-7-5-4-6-8-13/h4-8,11,15-16,20-21H,3,9-10H2,1-2H3
InChIKeyHODHABUIXZAYEA-UHFFFAOYSA-N
MW374.47 g/mol
LogP2.17
Rot. Bonds6

About [2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methyl 5-phenylpyrazolidine-3-carboxylate

[2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methyl 5-phenylpyrazolidine-3-carboxylate (PubChem CID 52987016) has the molecular formula C18H22N4O3S and a molecular weight of 374.47 g/mol. Its IUPAC name is [2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methyl 5-phenylpyrazolidine-3-carboxylate.

Molecular Properties

Compound Name[2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methyl 5-phenylpyrazolidine-3-carboxylate
PubChem CID52987016
Molecular FormulaC18H22N4O3S
Molecular Weight374.47 g/mol
Exact Mass374.14
IUPAC Name[2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methyl 5-phenylpyrazolidine-3-carboxylate
SMILESCCN(C(C)=O)c1nc(COC(=O)C2CC(c3ccccc3)NN2)cs1
InChIInChI=1S/C18H22N4O3S/c1-3-22(12(2)23)18-19-14(11-26-18)10-25-17(24)16-9-15(20-21-16)13-7-5-4-6-8-13/h4-8,11,15-16,20-21H,3,9-10H2,1-2H3
InChIKeyHODHABUIXZAYEA-UHFFFAOYSA-N
XLogP2.17
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methyl 5-phenylpyrazolidine-3-carboxylate?
The IUPAC name of [2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methyl 5-phenylpyrazolidine-3-carboxylate (CID 52987016) is [2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methyl 5-phenylpyrazolidine-3-carboxylate.
What is the SMILES notation for [2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methyl 5-phenylpyrazolidine-3-carboxylate?
The canonical SMILES for [2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methyl 5-phenylpyrazolidine-3-carboxylate is CCN(C(C)=O)c1nc(COC(=O)C2CC(c3ccccc3)NN2)cs1.
What is the InChIKey of [2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methyl 5-phenylpyrazolidine-3-carboxylate?
The InChIKey is HODHABUIXZAYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3S/c1-3-22(12(2)23)18-19-14(11-26-18)10-25-17(24)16-9-15(20-21-16)13-7-5-4-6-8-13/h4-8,11,15-16,20-21H,3,9-10H2,1-2H3.
What are the key properties of [2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methyl 5-phenylpyrazolidine-3-carboxylate?
[2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methyl 5-phenylpyrazolidine-3-carboxylate has a molecular weight of 374.47 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methyl 5-phenylpyrazolidine-3-carboxylate is sourced from PubChem (CID 52987016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).