N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-6-oxopiperazine-2-carboxamide

C12H18N4O2S — CID 56878876

IUPACN-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-6-oxopiperazine-2-carboxamide
SMILESCc1nc(CCNC(=O)C2CNCC(=O)N2)sc1C
InChIInChI=1S/C12H18N4O2S/c1-7-8(2)19-11(15-7)3-4-14-12(18)9-5-13-6-10(17)16-9/h9,13H,3-6H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyNGZCVORNWBKUGC-UHFFFAOYSA-N
MW282.37 g/mol
LogP-0.49
Rot. Bonds4

About N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-6-oxopiperazine-2-carboxamide

N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-6-oxopiperazine-2-carboxamide (PubChem CID 56878876) has the molecular formula C12H18N4O2S and a molecular weight of 282.37 g/mol. Its IUPAC name is N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-6-oxopiperazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-6-oxopiperazine-2-carboxamide
PubChem CID56878876
Molecular FormulaC12H18N4O2S
Molecular Weight282.37 g/mol
Exact Mass282.12
IUPAC NameN-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-6-oxopiperazine-2-carboxamide
SMILESCc1nc(CCNC(=O)C2CNCC(=O)N2)sc1C
InChIInChI=1S/C12H18N4O2S/c1-7-8(2)19-11(15-7)3-4-14-12(18)9-5-13-6-10(17)16-9/h9,13H,3-6H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyNGZCVORNWBKUGC-UHFFFAOYSA-N
XLogP-0.49
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 5-0.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-6-oxopiperazine-2-carboxamide?
The IUPAC name of N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-6-oxopiperazine-2-carboxamide (CID 56878876) is N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-6-oxopiperazine-2-carboxamide.
What is the SMILES notation for N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-6-oxopiperazine-2-carboxamide?
The canonical SMILES for N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-6-oxopiperazine-2-carboxamide is Cc1nc(CCNC(=O)C2CNCC(=O)N2)sc1C.
What is the InChIKey of N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-6-oxopiperazine-2-carboxamide?
The InChIKey is NGZCVORNWBKUGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2S/c1-7-8(2)19-11(15-7)3-4-14-12(18)9-5-13-6-10(17)16-9/h9,13H,3-6H2,1-2H3,(H,14,18)(H,16,17).
What are the key properties of N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-6-oxopiperazine-2-carboxamide?
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-6-oxopiperazine-2-carboxamide has a molecular weight of 282.37 g/mol, XLogP of -0.49, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-6-oxopiperazine-2-carboxamide is sourced from PubChem (CID 56878876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).