N-[1-[2-(ethylcarbamoylamino)-2-oxoethyl]piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide

C15H23N5O3S — CID 49449071

IUPACN-[1-[2-(ethylcarbamoylamino)-2-oxoethyl]piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCNC(=O)NC(=O)CN1CCC(NC(=O)c2scnc2C)CC1
InChIInChI=1S/C15H23N5O3S/c1-3-16-15(23)19-12(21)8-20-6-4-11(5-7-20)18-14(22)13-10(2)17-9-24-13/h9,11H,3-8H2,1-2H3,(H,18,22)(H2,16,19,21,23)
InChIKeyXDJSIINOLKIGKT-UHFFFAOYSA-N
MW353.45 g/mol
LogP0.49
Rot. Bonds5

About N-[1-[2-(ethylcarbamoylamino)-2-oxoethyl]piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide

N-[1-[2-(ethylcarbamoylamino)-2-oxoethyl]piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 49449071) has the molecular formula C15H23N5O3S and a molecular weight of 353.45 g/mol. Its IUPAC name is N-[1-[2-(ethylcarbamoylamino)-2-oxoethyl]piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(ethylcarbamoylamino)-2-oxoethyl]piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID49449071
Molecular FormulaC15H23N5O3S
Molecular Weight353.45 g/mol
Exact Mass353.15
IUPAC NameN-[1-[2-(ethylcarbamoylamino)-2-oxoethyl]piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCNC(=O)NC(=O)CN1CCC(NC(=O)c2scnc2C)CC1
InChIInChI=1S/C15H23N5O3S/c1-3-16-15(23)19-12(21)8-20-6-4-11(5-7-20)18-14(22)13-10(2)17-9-24-13/h9,11H,3-8H2,1-2H3,(H,18,22)(H2,16,19,21,23)
InChIKeyXDJSIINOLKIGKT-UHFFFAOYSA-N
XLogP0.49
TPSA103.43 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(ethylcarbamoylamino)-2-oxoethyl]piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[1-[2-(ethylcarbamoylamino)-2-oxoethyl]piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide (CID 49449071) is N-[1-[2-(ethylcarbamoylamino)-2-oxoethyl]piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[1-[2-(ethylcarbamoylamino)-2-oxoethyl]piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[1-[2-(ethylcarbamoylamino)-2-oxoethyl]piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide is CCNC(=O)NC(=O)CN1CCC(NC(=O)c2scnc2C)CC1.
What is the InChIKey of N-[1-[2-(ethylcarbamoylamino)-2-oxoethyl]piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is XDJSIINOLKIGKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O3S/c1-3-16-15(23)19-12(21)8-20-6-4-11(5-7-20)18-14(22)13-10(2)17-9-24-13/h9,11H,3-8H2,1-2H3,(H,18,22)(H2,16,19,21,23).
What are the key properties of N-[1-[2-(ethylcarbamoylamino)-2-oxoethyl]piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide?
N-[1-[2-(ethylcarbamoylamino)-2-oxoethyl]piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 353.45 g/mol, XLogP of 0.49, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(ethylcarbamoylamino)-2-oxoethyl]piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 49449071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).