[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone

C12H18N4OS2 — CID 110741651

IUPAC[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone
SMILESCc1csc(N2CCN(C(=O)C3CSCN3)CC2)n1
InChIInChI=1S/C12H18N4OS2/c1-9-6-19-12(14-9)16-4-2-15(3-5-16)11(17)10-7-18-8-13-10/h6,10,13H,2-5,7-8H2,1H3
InChIKeyNIIPKIQDSAAHSL-UHFFFAOYSA-N
MW298.44 g/mol
LogP0.76
Rot. Bonds2

About [4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone

[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone (PubChem CID 110741651) has the molecular formula C12H18N4OS2 and a molecular weight of 298.44 g/mol. Its IUPAC name is [4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone.

Molecular Properties

Compound Name[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone
PubChem CID110741651
Molecular FormulaC12H18N4OS2
Molecular Weight298.44 g/mol
Exact Mass298.09
IUPAC Name[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone
SMILESCc1csc(N2CCN(C(=O)C3CSCN3)CC2)n1
InChIInChI=1S/C12H18N4OS2/c1-9-6-19-12(14-9)16-4-2-15(3-5-16)11(17)10-7-18-8-13-10/h6,10,13H,2-5,7-8H2,1H3
InChIKeyNIIPKIQDSAAHSL-UHFFFAOYSA-N
XLogP0.76
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.44
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

cyclohexyl-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 110710911
2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone;dihydrochloride
CID 119851684
(4R)-1-methyl-4-[4-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carbonyl]piperidin-2-one
CID 94168138
methyl 4-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carboxylate
CID 110710922
[(3S)-1,1-dioxothiolan-3-yl]-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 94168144
[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 94168140
[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]-(oxan-4-yl)methanone
CID 25268514
[4-(4-chlorophenyl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone;dihydrochloride
CID 119843595
[4-(2-methylbenzoyl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone
CID 110802108
[4-(pyrazine-2-carbonyl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone
CID 110814149
ethane;4-methyl-2-piperazin-1-yl-1,3-thiazole
CID 143994298
1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-2-pyrrolidin-2-ylethanone;dihydrochloride
CID 119851715

Frequently Asked Questions

What is the IUPAC name of [4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone?
The IUPAC name of [4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone (CID 110741651) is [4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone.
What is the SMILES notation for [4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone?
The canonical SMILES for [4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone is Cc1csc(N2CCN(C(=O)C3CSCN3)CC2)n1.
What is the InChIKey of [4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone?
The InChIKey is NIIPKIQDSAAHSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4OS2/c1-9-6-19-12(14-9)16-4-2-15(3-5-16)11(17)10-7-18-8-13-10/h6,10,13H,2-5,7-8H2,1H3.
What are the key properties of [4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone?
[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone has a molecular weight of 298.44 g/mol, XLogP of 0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone is sourced from PubChem (CID 110741651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).