N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-[(2R)-3-oxo-1-(thiophen-2-ylmethyl)piperazin-2-yl]acetamide

C18H24N4O2S2 — CID 42308103

IUPACN-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-[(2R)-3-oxo-1-(thiophen-2-ylmethyl)piperazin-2-yl]acetamide
SMILESCc1nc(CCNC(=O)C[C@@H]2C(=O)NCCN2Cc2cccs2)sc1C
InChIInChI=1S/C18H24N4O2S2/c1-12-13(2)26-17(21-12)5-6-19-16(23)10-15-18(24)20-7-8-22(15)11-14-4-3-9-25-14/h3-4,9,15H,5-8,10-11H2,1-2H3,(H,19,23)(H,20,24)/t15-/m1/s1
InChIKeyZLPQPWHSOJWFPI-OAHLLOKOSA-N
MW392.55 g/mol
LogP1.87
Rot. Bonds7

About N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-[(2R)-3-oxo-1-(thiophen-2-ylmethyl)piperazin-2-yl]acetamide

N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-[(2R)-3-oxo-1-(thiophen-2-ylmethyl)piperazin-2-yl]acetamide (PubChem CID 42308103) has the molecular formula C18H24N4O2S2 and a molecular weight of 392.55 g/mol. Its IUPAC name is N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-[(2R)-3-oxo-1-(thiophen-2-ylmethyl)piperazin-2-yl]acetamide.

Molecular Properties

Compound NameN-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-[(2R)-3-oxo-1-(thiophen-2-ylmethyl)piperazin-2-yl]acetamide
PubChem CID42308103
Molecular FormulaC18H24N4O2S2
Molecular Weight392.55 g/mol
Exact Mass392.13
IUPAC NameN-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-[(2R)-3-oxo-1-(thiophen-2-ylmethyl)piperazin-2-yl]acetamide
SMILESCc1nc(CCNC(=O)C[C@@H]2C(=O)NCCN2Cc2cccs2)sc1C
InChIInChI=1S/C18H24N4O2S2/c1-12-13(2)26-17(21-12)5-6-19-16(23)10-15-18(24)20-7-8-22(15)11-14-4-3-9-25-14/h3-4,9,15H,5-8,10-11H2,1-2H3,(H,19,23)(H,20,24)/t15-/m1/s1
InChIKeyZLPQPWHSOJWFPI-OAHLLOKOSA-N
XLogP1.87
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.55
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-[(2S)-1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 42403577
2-[1-(2,3-dihydro-1H-inden-2-yl)-3-oxopiperazin-2-yl]-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 45213936
N-[2-(3-chlorophenyl)ethyl]-2-[3-oxo-1-(thiophen-2-ylmethyl)piperazin-2-yl]acetamide
CID 45218563
2-[3-oxo-1-(pyridin-3-ylmethyl)piperazin-2-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 45192808
2-[(2R)-3-oxo-1-(thiophen-2-ylmethyl)piperazin-2-yl]-N-(2H-tetrazol-5-ylmethyl)acetamide
CID 95714026
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-[(2S)-3-oxo-1-(thiophen-2-ylmethyl)piperazin-2-yl]acetamide
CID 95728501
2-[(2R)-3-oxo-1-(thiophen-2-ylmethyl)piperazin-2-yl]-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide
CID 26393409
ethyl 4-[[2-[3-oxo-1-(thiophen-2-ylmethyl)piperazin-2-yl]acetyl]amino]piperidine-1-carboxylate
CID 45220056
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-[(2R)-1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 126433486
2-[(2S)-1-benzyl-3-oxopiperazin-2-yl]-N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]acetamide
CID 26328913
2-[1-(2,3-dihydro-1H-inden-2-yl)-3-oxopiperazin-2-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 45247717
2-[(2S)-1-[(5-methylfuran-2-yl)methyl]-3-oxopiperazin-2-yl]-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide
CID 124754979

Frequently Asked Questions

What is the IUPAC name of N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-[(2R)-3-oxo-1-(thiophen-2-ylmethyl)piperazin-2-yl]acetamide?
The IUPAC name of N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-[(2R)-3-oxo-1-(thiophen-2-ylmethyl)piperazin-2-yl]acetamide (CID 42308103) is N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-[(2R)-3-oxo-1-(thiophen-2-ylmethyl)piperazin-2-yl]acetamide.
What is the SMILES notation for N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-[(2R)-3-oxo-1-(thiophen-2-ylmethyl)piperazin-2-yl]acetamide?
The canonical SMILES for N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-[(2R)-3-oxo-1-(thiophen-2-ylmethyl)piperazin-2-yl]acetamide is Cc1nc(CCNC(=O)C[C@@H]2C(=O)NCCN2Cc2cccs2)sc1C.
What is the InChIKey of N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-[(2R)-3-oxo-1-(thiophen-2-ylmethyl)piperazin-2-yl]acetamide?
The InChIKey is ZLPQPWHSOJWFPI-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H24N4O2S2/c1-12-13(2)26-17(21-12)5-6-19-16(23)10-15-18(24)20-7-8-22(15)11-14-4-3-9-25-14/h3-4,9,15H,5-8,10-11H2,1-2H3,(H,19,23)(H,20,24)/t15-/m1/s1.
What are the key properties of N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-[(2R)-3-oxo-1-(thiophen-2-ylmethyl)piperazin-2-yl]acetamide?
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-[(2R)-3-oxo-1-(thiophen-2-ylmethyl)piperazin-2-yl]acetamide has a molecular weight of 392.55 g/mol, XLogP of 1.87, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-[(2R)-3-oxo-1-(thiophen-2-ylmethyl)piperazin-2-yl]acetamide is sourced from PubChem (CID 42308103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).