ethyl 4-[[4-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-1,3-thiazol-2-yl]carbamoyl]piperazine-1-carboxylate

C19H24N6O4S — CID 42390638

IUPACethyl 4-[[4-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-1,3-thiazol-2-yl]carbamoyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)Nc2nc(CC(=O)NCc3ccncc3)cs2)CC1
InChIInChI=1S/C19H24N6O4S/c1-2-29-19(28)25-9-7-24(8-10-25)18(27)23-17-22-15(13-30-17)11-16(26)21-12-14-3-5-20-6-4-14/h3-6,13H,2,7-12H2,1H3,(H,21,26)(H,22,23,27)
InChIKeyLDSPLIVXASBOKG-UHFFFAOYSA-N
MW432.51 g/mol
LogP1.70
Rot. Bonds6

About ethyl 4-[[4-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-1,3-thiazol-2-yl]carbamoyl]piperazine-1-carboxylate

ethyl 4-[[4-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-1,3-thiazol-2-yl]carbamoyl]piperazine-1-carboxylate (PubChem CID 42390638) has the molecular formula C19H24N6O4S and a molecular weight of 432.51 g/mol. Its IUPAC name is ethyl 4-[[4-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-1,3-thiazol-2-yl]carbamoyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[4-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-1,3-thiazol-2-yl]carbamoyl]piperazine-1-carboxylate
PubChem CID42390638
Molecular FormulaC19H24N6O4S
Molecular Weight432.51 g/mol
Exact Mass432.16
IUPAC Nameethyl 4-[[4-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-1,3-thiazol-2-yl]carbamoyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)Nc2nc(CC(=O)NCc3ccncc3)cs2)CC1
InChIInChI=1S/C19H24N6O4S/c1-2-29-19(28)25-9-7-24(8-10-25)18(27)23-17-22-15(13-30-17)11-16(26)21-12-14-3-5-20-6-4-14/h3-6,13H,2,7-12H2,1H3,(H,21,26)(H,22,23,27)
InChIKeyLDSPLIVXASBOKG-UHFFFAOYSA-N
XLogP1.70
TPSA116.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.51
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze ethyl 4-[[4-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-1,3-thiazol-2-yl]carbamoyl]piperazine-1-carboxylate with MolForge

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Related Compounds

ethyl 4-[[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]carbamoyl]piperazine-1-carboxylate
CID 42437024
ethyl 4-[[4-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-1,3-thiazol-2-yl]carbamoyl]piperazine-1-carboxylate
CID 42437103
4-chloro-N-[4-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-1,3-thiazol-2-yl]benzamide
CID 18567945
2-[2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(pyridin-4-ylmethyl)acetamide
CID 41159444
N-[4-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-1,3-thiazol-2-yl]-1,3-benzodioxole-5-carboxamide
CID 16820221
N-(pyridin-4-ylmethyl)-2-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-4-yl]acetamide
CID 110386591
N-cyclopropyl-N-[2-oxo-2-[[4-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]benzamide
CID 1030995
ethyl 4-(1,3-thiazol-2-ylcarbamoyl)piperazine-1-carboxylate
CID 47148348
ethyl 4-[[3-oxo-3-(pyridin-4-ylmethylamino)propyl]amino]piperidine-1-carboxylate
CID 109023796
ethyl 4-[1-(pyridin-4-ylmethylcarbamoyl)cyclopropanecarbonyl]piperazine-1-carboxylate
CID 108976948
4-acetyl-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide
CID 110706314
N-[4-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]pyrimidine-2-carboxamide
CID 121032612

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[4-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-1,3-thiazol-2-yl]carbamoyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[[4-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-1,3-thiazol-2-yl]carbamoyl]piperazine-1-carboxylate (CID 42390638) is ethyl 4-[[4-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-1,3-thiazol-2-yl]carbamoyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[4-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-1,3-thiazol-2-yl]carbamoyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[[4-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-1,3-thiazol-2-yl]carbamoyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)Nc2nc(CC(=O)NCc3ccncc3)cs2)CC1.
What is the InChIKey of ethyl 4-[[4-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-1,3-thiazol-2-yl]carbamoyl]piperazine-1-carboxylate?
The InChIKey is LDSPLIVXASBOKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O4S/c1-2-29-19(28)25-9-7-24(8-10-25)18(27)23-17-22-15(13-30-17)11-16(26)21-12-14-3-5-20-6-4-14/h3-6,13H,2,7-12H2,1H3,(H,21,26)(H,22,23,27).
What are the key properties of ethyl 4-[[4-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-1,3-thiazol-2-yl]carbamoyl]piperazine-1-carboxylate?
ethyl 4-[[4-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-1,3-thiazol-2-yl]carbamoyl]piperazine-1-carboxylate has a molecular weight of 432.51 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[4-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-1,3-thiazol-2-yl]carbamoyl]piperazine-1-carboxylate is sourced from PubChem (CID 42390638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).