N-[(1R)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-2-[(2R)-1-methyl-3-oxopiperazin-2-yl]acetamide

C18H24N4O2S2 — CID 95802527

IUPACN-[(1R)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-2-[(2R)-1-methyl-3-oxopiperazin-2-yl]acetamide
SMILESCc1nc([C@@H](Cc2ccsc2)NC(=O)C[C@@H]2C(=O)NCCN2C)sc1C
InChIInChI=1S/C18H24N4O2S2/c1-11-12(2)26-18(20-11)14(8-13-4-7-25-10-13)21-16(23)9-15-17(24)19-5-6-22(15)3/h4,7,10,14-15H,5-6,8-9H2,1-3H3,(H,19,24)(H,21,23)/t14-,15-/m1/s1
InChIKeyOMZVCLBKQKQECV-HUUCEWRRSA-N
MW392.55 g/mol
LogP2.04
Rot. Bonds6

About N-[(1R)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-2-[(2R)-1-methyl-3-oxopiperazin-2-yl]acetamide

N-[(1R)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-2-[(2R)-1-methyl-3-oxopiperazin-2-yl]acetamide (PubChem CID 95802527) has the molecular formula C18H24N4O2S2 and a molecular weight of 392.55 g/mol. Its IUPAC name is N-[(1R)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-2-[(2R)-1-methyl-3-oxopiperazin-2-yl]acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-2-[(2R)-1-methyl-3-oxopiperazin-2-yl]acetamide
PubChem CID95802527
Molecular FormulaC18H24N4O2S2
Molecular Weight392.55 g/mol
Exact Mass392.13
IUPAC NameN-[(1R)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-2-[(2R)-1-methyl-3-oxopiperazin-2-yl]acetamide
SMILESCc1nc([C@@H](Cc2ccsc2)NC(=O)C[C@@H]2C(=O)NCCN2C)sc1C
InChIInChI=1S/C18H24N4O2S2/c1-11-12(2)26-18(20-11)14(8-13-4-7-25-10-13)21-16(23)9-15-17(24)19-5-6-22(15)3/h4,7,10,14-15H,5-6,8-9H2,1-3H3,(H,19,24)(H,21,23)/t14-,15-/m1/s1
InChIKeyOMZVCLBKQKQECV-HUUCEWRRSA-N
XLogP2.04
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.55
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(1R)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-2-[(2R)-1-methyl-3-oxopiperazin-2-yl]acetamide with MolForge

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Related Compounds

N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-3-imidazol-1-ylpropanamide
CID 46955492
N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-1,3-dimethylpyrazole-4-carboxamide
CID 110222003
N-[(1S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-3-(1,2-oxazol-5-yl)propanamide
CID 92597569
N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-2-(4-methylpyrazol-1-yl)acetamide
CID 110222036
N-[(1R)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-3-(1-ethyl-3-methylpyrazol-4-yl)propanamide
CID 92589855
N-[(1R)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-3-sulfamoylbenzamide
CID 92597605
2-[(2S)-1-methyl-3-oxopiperazin-2-yl]-N-[(5-methyl-1H-pyrazol-3-yl)methyl]acetamide
CID 51597136
1-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-6-oxopyridine-3-carboxamide
CID 110221963
1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(6-methyl-2-pyridinyl)methyl]-2-thiophen-3-ylethanamine
CID 110221989
2-(3-oxo-1,2-dihydroisoindol-1-yl)-N-[1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]acetamide
CID 46966595
(1R)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-yl-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine
CID 92597615
2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]acetamide
CID 110221941

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-2-[(2R)-1-methyl-3-oxopiperazin-2-yl]acetamide?
The IUPAC name of N-[(1R)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-2-[(2R)-1-methyl-3-oxopiperazin-2-yl]acetamide (CID 95802527) is N-[(1R)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-2-[(2R)-1-methyl-3-oxopiperazin-2-yl]acetamide.
What is the SMILES notation for N-[(1R)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-2-[(2R)-1-methyl-3-oxopiperazin-2-yl]acetamide?
The canonical SMILES for N-[(1R)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-2-[(2R)-1-methyl-3-oxopiperazin-2-yl]acetamide is Cc1nc([C@@H](Cc2ccsc2)NC(=O)C[C@@H]2C(=O)NCCN2C)sc1C.
What is the InChIKey of N-[(1R)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-2-[(2R)-1-methyl-3-oxopiperazin-2-yl]acetamide?
The InChIKey is OMZVCLBKQKQECV-HUUCEWRRSA-N. The full InChI is InChI=1S/C18H24N4O2S2/c1-11-12(2)26-18(20-11)14(8-13-4-7-25-10-13)21-16(23)9-15-17(24)19-5-6-22(15)3/h4,7,10,14-15H,5-6,8-9H2,1-3H3,(H,19,24)(H,21,23)/t14-,15-/m1/s1.
What are the key properties of N-[(1R)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-2-[(2R)-1-methyl-3-oxopiperazin-2-yl]acetamide?
N-[(1R)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-2-[(2R)-1-methyl-3-oxopiperazin-2-yl]acetamide has a molecular weight of 392.55 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-2-[(2R)-1-methyl-3-oxopiperazin-2-yl]acetamide is sourced from PubChem (CID 95802527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).