2-(2,5-dimethyl-1,3-thiazol-4-yl)-1-[4-(2-methylsulfanylethyl)piperazin-1-yl]ethanone

C14H23N3OS2 — CID 91840363

IUPAC2-(2,5-dimethyl-1,3-thiazol-4-yl)-1-[4-(2-methylsulfanylethyl)piperazin-1-yl]ethanone
SMILESCSCCN1CCN(C(=O)Cc2nc(C)sc2C)CC1
InChIInChI=1S/C14H23N3OS2/c1-11-13(15-12(2)20-11)10-14(18)17-6-4-16(5-7-17)8-9-19-3/h4-10H2,1-3H3
InChIKeyKMVUAVUHUWIDMW-UHFFFAOYSA-N
MW313.49 g/mol
LogP1.81
Rot. Bonds5

About 2-(2,5-dimethyl-1,3-thiazol-4-yl)-1-[4-(2-methylsulfanylethyl)piperazin-1-yl]ethanone

2-(2,5-dimethyl-1,3-thiazol-4-yl)-1-[4-(2-methylsulfanylethyl)piperazin-1-yl]ethanone (PubChem CID 91840363) has the molecular formula C14H23N3OS2 and a molecular weight of 313.49 g/mol. Its IUPAC name is 2-(2,5-dimethyl-1,3-thiazol-4-yl)-1-[4-(2-methylsulfanylethyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2,5-dimethyl-1,3-thiazol-4-yl)-1-[4-(2-methylsulfanylethyl)piperazin-1-yl]ethanone
PubChem CID91840363
Molecular FormulaC14H23N3OS2
Molecular Weight313.49 g/mol
Exact Mass313.13
IUPAC Name2-(2,5-dimethyl-1,3-thiazol-4-yl)-1-[4-(2-methylsulfanylethyl)piperazin-1-yl]ethanone
SMILESCSCCN1CCN(C(=O)Cc2nc(C)sc2C)CC1
InChIInChI=1S/C14H23N3OS2/c1-11-13(15-12(2)20-11)10-14(18)17-6-4-16(5-7-17)8-9-19-3/h4-10H2,1-3H3
InChIKeyKMVUAVUHUWIDMW-UHFFFAOYSA-N
XLogP1.81
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.49
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,5-dimethyl-1,3-thiazol-4-yl)-1-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 91833282
2-(2,5-dimethyl-1,3-thiazol-4-yl)-1-[4-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]ethanone
CID 136534115
2-(2,5-dimethyl-1,3-thiazol-4-yl)-1-[4-(1H-1,2,4-triazol-5-ylsulfonyl)piperazin-1-yl]ethanone
CID 127890522
2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 143940533
2-(2,5-dimethyl-1,3-thiazol-4-yl)-1-[2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]ethanone
CID 126783970
2-[5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-methyl-1,3-thiazol-4-yl]acetic acid
CID 82069216
1-(aziridin-1-yl)-2-methylsulfanylethanone
CID 130677613
4-[2-(2,4-dimethyl-1,3-thiazol-5-yl)acetyl]piperazine-1-carbaldehyde
CID 110328771
[4-(2-bromoethyl)piperazin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone
CID 114033487
1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-(2,4-dimethyl-1,3-thiazol-5-yl)ethanone
CID 70780037
N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3-(4-methylpiperazin-1-yl)propanamide
CID 125176041
2-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)-1-pyrrolidin-1-ylethanone
CID 110848615

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethyl-1,3-thiazol-4-yl)-1-[4-(2-methylsulfanylethyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(2,5-dimethyl-1,3-thiazol-4-yl)-1-[4-(2-methylsulfanylethyl)piperazin-1-yl]ethanone (CID 91840363) is 2-(2,5-dimethyl-1,3-thiazol-4-yl)-1-[4-(2-methylsulfanylethyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(2,5-dimethyl-1,3-thiazol-4-yl)-1-[4-(2-methylsulfanylethyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(2,5-dimethyl-1,3-thiazol-4-yl)-1-[4-(2-methylsulfanylethyl)piperazin-1-yl]ethanone is CSCCN1CCN(C(=O)Cc2nc(C)sc2C)CC1.
What is the InChIKey of 2-(2,5-dimethyl-1,3-thiazol-4-yl)-1-[4-(2-methylsulfanylethyl)piperazin-1-yl]ethanone?
The InChIKey is KMVUAVUHUWIDMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OS2/c1-11-13(15-12(2)20-11)10-14(18)17-6-4-16(5-7-17)8-9-19-3/h4-10H2,1-3H3.
What are the key properties of 2-(2,5-dimethyl-1,3-thiazol-4-yl)-1-[4-(2-methylsulfanylethyl)piperazin-1-yl]ethanone?
2-(2,5-dimethyl-1,3-thiazol-4-yl)-1-[4-(2-methylsulfanylethyl)piperazin-1-yl]ethanone has a molecular weight of 313.49 g/mol, XLogP of 1.81, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethyl-1,3-thiazol-4-yl)-1-[4-(2-methylsulfanylethyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 91840363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).