cyclopentyl-[4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]methanone

C16H23N3O2S — CID 36515172

IUPACcyclopentyl-[4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]methanone
SMILESCc1nc(C)c(C(=O)N2CCN(C(=O)C3CCCC3)CC2)s1
InChIInChI=1S/C16H23N3O2S/c1-11-14(22-12(2)17-11)16(21)19-9-7-18(8-10-19)15(20)13-5-3-4-6-13/h13H,3-10H2,1-2H3
InChIKeyKFLZXSKXEQMVLD-UHFFFAOYSA-N
MW321.45 g/mol
LogP2.23
Rot. Bonds2

About cyclopentyl-[4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]methanone

cyclopentyl-[4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]methanone (PubChem CID 36515172) has the molecular formula C16H23N3O2S and a molecular weight of 321.45 g/mol. Its IUPAC name is cyclopentyl-[4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]methanone
PubChem CID36515172
Molecular FormulaC16H23N3O2S
Molecular Weight321.45 g/mol
Exact Mass321.15
IUPAC Namecyclopentyl-[4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]methanone
SMILESCc1nc(C)c(C(=O)N2CCN(C(=O)C3CCCC3)CC2)s1
InChIInChI=1S/C16H23N3O2S/c1-11-14(22-12(2)17-11)16(21)19-9-7-18(8-10-19)15(20)13-5-3-4-6-13/h13H,3-10H2,1-2H3
InChIKeyKFLZXSKXEQMVLD-UHFFFAOYSA-N
XLogP2.23
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

cyclopropyl-[4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]methanone
CID 32890593
cyclopentyl-[4-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]methanone
CID 38391292
[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)azetidin-3-yl]-morpholin-4-ylmethanone
CID 110082514
[1-(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 49017741
(2,4-dimethyl-1,3-thiazol-5-yl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 95274470
1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidine-2-carboxylic acid
CID 43092215
(2R)-2-cyclohexyl-2-[4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]acetonitrile
CID 94668481
[4-(1-chloroethyl)piperidin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone
CID 114033541
[4-[6-(azepan-1-yl)pyridazin-3-yl]piperazin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone
CID 121053835
[(3R)-3-aminopyrrolidin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone
CID 103805034
(2,4-dimethyl-1,3-thiazol-5-yl)-[3-[(2S)-1-methylpiperidin-2-yl]-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl]methanone
CID 92622310
[4-(2-bromoethyl)piperazin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone
CID 114033487

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of cyclopentyl-[4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]methanone (CID 36515172) is cyclopentyl-[4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for cyclopentyl-[4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for cyclopentyl-[4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]methanone is Cc1nc(C)c(C(=O)N2CCN(C(=O)C3CCCC3)CC2)s1.
What is the InChIKey of cyclopentyl-[4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]methanone?
The InChIKey is KFLZXSKXEQMVLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2S/c1-11-14(22-12(2)17-11)16(21)19-9-7-18(8-10-19)15(20)13-5-3-4-6-13/h13H,3-10H2,1-2H3.
What are the key properties of cyclopentyl-[4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]methanone?
cyclopentyl-[4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]methanone has a molecular weight of 321.45 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 36515172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).