1-[4-[2-(3-methyl-1,2-thiazol-4-yl)acetyl]piperazin-1-yl]-2-thiophen-2-ylpropan-1-one

C17H21N3O2S2 — CID 166374121

IUPAC1-[4-[2-(3-methyl-1,2-thiazol-4-yl)acetyl]piperazin-1-yl]-2-thiophen-2-ylpropan-1-one
SMILESCc1nscc1CC(=O)N1CCN(C(=O)C(C)c2cccs2)CC1
InChIInChI=1S/C17H21N3O2S2/c1-12(15-4-3-9-23-15)17(22)20-7-5-19(6-8-20)16(21)10-14-11-24-18-13(14)2/h3-4,9,11-12H,5-8,10H2,1-2H3
InChIKeyNSUZQTRRCJAYAJ-UHFFFAOYSA-N
MW363.51 g/mol
LogP2.53
Rot. Bonds4

About 1-[4-[2-(3-methyl-1,2-thiazol-4-yl)acetyl]piperazin-1-yl]-2-thiophen-2-ylpropan-1-one

1-[4-[2-(3-methyl-1,2-thiazol-4-yl)acetyl]piperazin-1-yl]-2-thiophen-2-ylpropan-1-one (PubChem CID 166374121) has the molecular formula C17H21N3O2S2 and a molecular weight of 363.51 g/mol. Its IUPAC name is 1-[4-[2-(3-methyl-1,2-thiazol-4-yl)acetyl]piperazin-1-yl]-2-thiophen-2-ylpropan-1-one.

Molecular Properties

Compound Name1-[4-[2-(3-methyl-1,2-thiazol-4-yl)acetyl]piperazin-1-yl]-2-thiophen-2-ylpropan-1-one
PubChem CID166374121
Molecular FormulaC17H21N3O2S2
Molecular Weight363.51 g/mol
Exact Mass363.11
IUPAC Name1-[4-[2-(3-methyl-1,2-thiazol-4-yl)acetyl]piperazin-1-yl]-2-thiophen-2-ylpropan-1-one
SMILESCc1nscc1CC(=O)N1CCN(C(=O)C(C)c2cccs2)CC1
InChIInChI=1S/C17H21N3O2S2/c1-12(15-4-3-9-23-15)17(22)20-7-5-19(6-8-20)16(21)10-14-11-24-18-13(14)2/h3-4,9,11-12H,5-8,10H2,1-2H3
InChIKeyNSUZQTRRCJAYAJ-UHFFFAOYSA-N
XLogP2.53
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.51
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4-[2-(3-methyl-1,2-thiazol-4-yl)acetyl]piperazin-1-yl]-2-thiophen-2-ylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(2-amino-2-thiophen-2-ylacetyl)piperazin-1-yl]-3-methylbutan-1-one
CID 115286671
(2R)-1-[4-[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]-2-thiophen-2-ylpropan-1-one
CID 95905520
1-[4-(2-propan-2-yloxyethylsulfonyl)piperazin-1-yl]-2-thiophen-2-ylpropan-1-one
CID 136511986
2-thiophen-2-yl-1-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]ethanone
CID 110364980
2-[4-(2-methylpropanoyl)piperazin-1-yl]-N-(1-thiophen-2-ylethyl)acetamide
CID 17487495
(2R)-1-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-thiophen-2-ylpropan-1-one
CID 95773697
2-[4-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]piperazin-1-yl]-N-[(R)-phenyl(thiophen-2-yl)methyl]acetamide
CID 40796933
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-thiophen-2-ylpropan-1-one
CID 119662698
1-(4-methylpiperazin-1-yl)-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethanone
CID 81407978
(3R)-1-[(2S)-2-thiophen-2-ylpropanoyl]piperidine-3-sulfonamide
CID 97218661
(3S)-1-[(2S)-2-thiophen-2-ylpropanoyl]piperidine-3-carboxylic acid
CID 124576625
ethyl 4-(2-amino-2-thiophen-2-ylacetyl)piperazine-1-carboxylate
CID 115286815

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(3-methyl-1,2-thiazol-4-yl)acetyl]piperazin-1-yl]-2-thiophen-2-ylpropan-1-one?
The IUPAC name of 1-[4-[2-(3-methyl-1,2-thiazol-4-yl)acetyl]piperazin-1-yl]-2-thiophen-2-ylpropan-1-one (CID 166374121) is 1-[4-[2-(3-methyl-1,2-thiazol-4-yl)acetyl]piperazin-1-yl]-2-thiophen-2-ylpropan-1-one.
What is the SMILES notation for 1-[4-[2-(3-methyl-1,2-thiazol-4-yl)acetyl]piperazin-1-yl]-2-thiophen-2-ylpropan-1-one?
The canonical SMILES for 1-[4-[2-(3-methyl-1,2-thiazol-4-yl)acetyl]piperazin-1-yl]-2-thiophen-2-ylpropan-1-one is Cc1nscc1CC(=O)N1CCN(C(=O)C(C)c2cccs2)CC1.
What is the InChIKey of 1-[4-[2-(3-methyl-1,2-thiazol-4-yl)acetyl]piperazin-1-yl]-2-thiophen-2-ylpropan-1-one?
The InChIKey is NSUZQTRRCJAYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S2/c1-12(15-4-3-9-23-15)17(22)20-7-5-19(6-8-20)16(21)10-14-11-24-18-13(14)2/h3-4,9,11-12H,5-8,10H2,1-2H3.
What are the key properties of 1-[4-[2-(3-methyl-1,2-thiazol-4-yl)acetyl]piperazin-1-yl]-2-thiophen-2-ylpropan-1-one?
1-[4-[2-(3-methyl-1,2-thiazol-4-yl)acetyl]piperazin-1-yl]-2-thiophen-2-ylpropan-1-one has a molecular weight of 363.51 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(3-methyl-1,2-thiazol-4-yl)acetyl]piperazin-1-yl]-2-thiophen-2-ylpropan-1-one is sourced from PubChem (CID 166374121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).