2-[4-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone

C20H28N4OS2 — CID 86876718

IUPAC2-[4-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone
SMILESCc1csc(C2CCN(CC(=O)N3CCN(Cc4ccsc4)CC3)CC2)n1
InChIInChI=1S/C20H28N4OS2/c1-16-14-27-20(21-16)18-2-5-22(6-3-18)13-19(25)24-9-7-23(8-10-24)12-17-4-11-26-15-17/h4,11,14-15,18H,2-3,5-10,12-13H2,1H3
InChIKeySUNFHWKPBVFZOR-UHFFFAOYSA-N
MW404.61 g/mol
LogP3.04
Rot. Bonds5

About 2-[4-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone

2-[4-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone (PubChem CID 86876718) has the molecular formula C20H28N4OS2 and a molecular weight of 404.61 g/mol. Its IUPAC name is 2-[4-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-[4-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone
PubChem CID86876718
Molecular FormulaC20H28N4OS2
Molecular Weight404.61 g/mol
Exact Mass404.17
IUPAC Name2-[4-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone
SMILESCc1csc(C2CCN(CC(=O)N3CCN(Cc4ccsc4)CC3)CC2)n1
InChIInChI=1S/C20H28N4OS2/c1-16-14-27-20(21-16)18-2-5-22(6-3-18)13-19(25)24-9-7-23(8-10-24)12-17-4-11-26-15-17/h4,11,14-15,18H,2-3,5-10,12-13H2,1H3
InChIKeySUNFHWKPBVFZOR-UHFFFAOYSA-N
XLogP3.04
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.61
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[4-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone 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

5-Methyl-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-9-(thiophen-3-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118743643
N-methyl-2-(2-propan-2-yl-1,3-thiazol-4-yl)-N-(thiophen-3-ylmethyl)acetamide
CID 45887477
1-Methyl-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-9-(thiophen-3-ylmethyl)-1,4,9-triazaspiro[5.5]undecan-5-one;bis(2,2,2-trifluoroacetic acid)
CID 155846165
(4-(((4-Methylthiazol-2-yl)thio)methyl)piperidin-1-yl)(thiophen-3-yl)methanone
CID 71800795
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone
CID 46616312
3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone
CID 68681939
1-[4-[(2-Thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-4-ium-1-yl]ethanone
CID 8435074
1-[4-[(2-Thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone
CID 8435075
Azepan-1-yl-[1-(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)piperidin-4-yl]methanone
CID 8548115
4-[(2-Thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-4-ium-2-one
CID 8549456
4-[(2-Thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-2-one
CID 8549457
1-[(2-Thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidin-1-ium-4-carboxamide
CID 8557562

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-[4-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone (CID 86876718) is 2-[4-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-[4-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-[4-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone is Cc1csc(C2CCN(CC(=O)N3CCN(Cc4ccsc4)CC3)CC2)n1.
What is the InChIKey of 2-[4-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone?
The InChIKey is SUNFHWKPBVFZOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4OS2/c1-16-14-27-20(21-16)18-2-5-22(6-3-18)13-19(25)24-9-7-23(8-10-24)12-17-4-11-26-15-17/h4,11,14-15,18H,2-3,5-10,12-13H2,1H3.
What are the key properties of 2-[4-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone?
2-[4-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone has a molecular weight of 404.61 g/mol, XLogP of 3.04, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 86876718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).