ethyl 4-[[2-[2-(methoxycarbonylamino)-1,3-thiazol-4-yl]acetyl]amino]piperidine-1-carboxylate

C15H22N4O5S — CID 16883836

IUPACethyl 4-[[2-[2-(methoxycarbonylamino)-1,3-thiazol-4-yl]acetyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)Cc2csc(NC(=O)OC)n2)CC1
InChIInChI=1S/C15H22N4O5S/c1-3-24-15(22)19-6-4-10(5-7-19)16-12(20)8-11-9-25-13(17-11)18-14(21)23-2/h9-10H,3-8H2,1-2H3,(H,16,20)(H,17,18,21)
InChIKeySBQGECVINFBNOC-UHFFFAOYSA-N
MW370.43 g/mol
LogP1.60
Rot. Bonds5

About ethyl 4-[[2-[2-(methoxycarbonylamino)-1,3-thiazol-4-yl]acetyl]amino]piperidine-1-carboxylate

ethyl 4-[[2-[2-(methoxycarbonylamino)-1,3-thiazol-4-yl]acetyl]amino]piperidine-1-carboxylate (PubChem CID 16883836) has the molecular formula C15H22N4O5S and a molecular weight of 370.43 g/mol. Its IUPAC name is ethyl 4-[[2-[2-(methoxycarbonylamino)-1,3-thiazol-4-yl]acetyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[2-[2-(methoxycarbonylamino)-1,3-thiazol-4-yl]acetyl]amino]piperidine-1-carboxylate
PubChem CID16883836
Molecular FormulaC15H22N4O5S
Molecular Weight370.43 g/mol
Exact Mass370.13
IUPAC Nameethyl 4-[[2-[2-(methoxycarbonylamino)-1,3-thiazol-4-yl]acetyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)Cc2csc(NC(=O)OC)n2)CC1
InChIInChI=1S/C15H22N4O5S/c1-3-24-15(22)19-6-4-10(5-7-19)16-12(20)8-11-9-25-13(17-11)18-14(21)23-2/h9-10H,3-8H2,1-2H3,(H,16,20)(H,17,18,21)
InChIKeySBQGECVINFBNOC-UHFFFAOYSA-N
XLogP1.60
TPSA109.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-[2-(methoxycarbonylamino)-1,3-thiazol-4-yl]acetyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[2-[2-(methoxycarbonylamino)-1,3-thiazol-4-yl]acetyl]amino]piperidine-1-carboxylate (CID 16883836) is ethyl 4-[[2-[2-(methoxycarbonylamino)-1,3-thiazol-4-yl]acetyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[2-[2-(methoxycarbonylamino)-1,3-thiazol-4-yl]acetyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[2-[2-(methoxycarbonylamino)-1,3-thiazol-4-yl]acetyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)Cc2csc(NC(=O)OC)n2)CC1.
What is the InChIKey of ethyl 4-[[2-[2-(methoxycarbonylamino)-1,3-thiazol-4-yl]acetyl]amino]piperidine-1-carboxylate?
The InChIKey is SBQGECVINFBNOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O5S/c1-3-24-15(22)19-6-4-10(5-7-19)16-12(20)8-11-9-25-13(17-11)18-14(21)23-2/h9-10H,3-8H2,1-2H3,(H,16,20)(H,17,18,21).
What are the key properties of ethyl 4-[[2-[2-(methoxycarbonylamino)-1,3-thiazol-4-yl]acetyl]amino]piperidine-1-carboxylate?
ethyl 4-[[2-[2-(methoxycarbonylamino)-1,3-thiazol-4-yl]acetyl]amino]piperidine-1-carboxylate has a molecular weight of 370.43 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-[2-(methoxycarbonylamino)-1,3-thiazol-4-yl]acetyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 16883836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).