benzyl 2-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)acetyl]pyrazolidine-1-carboxylate

C20H19N5O3S — CID 3538502

IUPACbenzyl 2-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)acetyl]pyrazolidine-1-carboxylate
SMILESO=C(Cc1csc(-c2cnccn2)n1)N1CCCN1C(=O)OCc1ccccc1
InChIInChI=1S/C20H19N5O3S/c26-18(11-16-14-29-19(23-16)17-12-21-7-8-22-17)24-9-4-10-25(24)20(27)28-13-15-5-2-1-3-6-15/h1-3,5-8,12,14H,4,9-11,13H2
InChIKeyIFLGFXYPBGTHHN-UHFFFAOYSA-N
MW409.47 g/mol
LogP2.93
Rot. Bonds5

About benzyl 2-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)acetyl]pyrazolidine-1-carboxylate

benzyl 2-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)acetyl]pyrazolidine-1-carboxylate (PubChem CID 3538502) has the molecular formula C20H19N5O3S and a molecular weight of 409.47 g/mol. Its IUPAC name is benzyl 2-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)acetyl]pyrazolidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 2-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)acetyl]pyrazolidine-1-carboxylate
PubChem CID3538502
Molecular FormulaC20H19N5O3S
Molecular Weight409.47 g/mol
Exact Mass409.12
IUPAC Namebenzyl 2-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)acetyl]pyrazolidine-1-carboxylate
SMILESO=C(Cc1csc(-c2cnccn2)n1)N1CCCN1C(=O)OCc1ccccc1
InChIInChI=1S/C20H19N5O3S/c26-18(11-16-14-29-19(23-16)17-12-21-7-8-22-17)24-9-4-10-25(24)20(27)28-13-15-5-2-1-3-6-15/h1-3,5-8,12,14H,4,9-11,13H2
InChIKeyIFLGFXYPBGTHHN-UHFFFAOYSA-N
XLogP2.93
TPSA88.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.47
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-[2-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)acetyl]pyrazolidin-1-yl]prop-2-en-1-one
CID 3831470
1-[2-[(2-bromophenyl)methyl]pyrrolidin-1-yl]-2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethanone
CID 166342179
benzyl 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate
CID 8918530
2-phenoxy-1-[(2R)-2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)piperidin-1-yl]ethanone
CID 158248873
benzyl 2-(4-methylpyridine-3-carbonyl)pyrazolidine-1-carboxylate
CID 3766365
2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)-1-[4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]ethanone
CID 127274827
ethyl 3-(2-pyrazin-2-yl-1,3-thiazol-4-yl)propanoate
CID 103485378
4-(chloromethyl)-2-pyrazin-2-yl-1,3-thiazole
CID 23025076
benzyl 2-cyanopyrazolidine-1-carboxylate
CID 11564880
N-[(1-hydroxycyclohexyl)methyl]-2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)acetamide
CID 111446165
benzyl 2-(benzylcarbamoyl)pyrazolidine-1-carboxylate
CID 5005887
1-(4-methylpiperidin-1-yl)-2-[2-[[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methylamino]methyl]phenoxy]ethanone
CID 131906085

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)acetyl]pyrazolidine-1-carboxylate?
The IUPAC name of benzyl 2-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)acetyl]pyrazolidine-1-carboxylate (CID 3538502) is benzyl 2-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)acetyl]pyrazolidine-1-carboxylate.
What is the SMILES notation for benzyl 2-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)acetyl]pyrazolidine-1-carboxylate?
The canonical SMILES for benzyl 2-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)acetyl]pyrazolidine-1-carboxylate is O=C(Cc1csc(-c2cnccn2)n1)N1CCCN1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)acetyl]pyrazolidine-1-carboxylate?
The InChIKey is IFLGFXYPBGTHHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O3S/c26-18(11-16-14-29-19(23-16)17-12-21-7-8-22-17)24-9-4-10-25(24)20(27)28-13-15-5-2-1-3-6-15/h1-3,5-8,12,14H,4,9-11,13H2.
What are the key properties of benzyl 2-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)acetyl]pyrazolidine-1-carboxylate?
benzyl 2-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)acetyl]pyrazolidine-1-carboxylate has a molecular weight of 409.47 g/mol, XLogP of 2.93, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)acetyl]pyrazolidine-1-carboxylate is sourced from PubChem (CID 3538502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).