(4-ethyl-2-methyl-1,3-thiazol-5-yl)-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]methanone

C17H22N4OS — CID 70712734

IUPAC(4-ethyl-2-methyl-1,3-thiazol-5-yl)-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]methanone
SMILESCCc1nc(C)sc1C(=O)N1CCN(c2ncccc2C)CC1
InChIInChI=1S/C17H22N4OS/c1-4-14-15(23-13(3)19-14)17(22)21-10-8-20(9-11-21)16-12(2)6-5-7-18-16/h5-7H,4,8-11H2,1-3H3
InChIKeyNPRNYEDFBZVNKN-UHFFFAOYSA-N
MW330.46 g/mol
LogP2.68
Rot. Bonds3

About (4-ethyl-2-methyl-1,3-thiazol-5-yl)-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]methanone

(4-ethyl-2-methyl-1,3-thiazol-5-yl)-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]methanone (PubChem CID 70712734) has the molecular formula C17H22N4OS and a molecular weight of 330.46 g/mol. Its IUPAC name is (4-ethyl-2-methyl-1,3-thiazol-5-yl)-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-ethyl-2-methyl-1,3-thiazol-5-yl)-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]methanone
PubChem CID70712734
Molecular FormulaC17H22N4OS
Molecular Weight330.46 g/mol
Exact Mass330.15
IUPAC Name(4-ethyl-2-methyl-1,3-thiazol-5-yl)-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]methanone
SMILESCCc1nc(C)sc1C(=O)N1CCN(c2ncccc2C)CC1
InChIInChI=1S/C17H22N4OS/c1-4-14-15(23-13(3)19-14)17(22)21-10-8-20(9-11-21)16-12(2)6-5-7-18-16/h5-7H,4,8-11H2,1-3H3
InChIKeyNPRNYEDFBZVNKN-UHFFFAOYSA-N
XLogP2.68
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.46
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4-ethyl-2-methyl-1,3-thiazol-5-yl)-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

(1,1-dioxo-1,4-thiazinan-4-yl)-(4-ethyl-2-methyl-1,3-thiazol-5-yl)methanone
CID 77090670
(4-ethyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 154821155
1,1-dimethyl-3-[2-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]urea
CID 90651702
[(3R,4S)-3,4-dihydroxy-4-methylpiperidin-1-yl]-(4-ethyl-2-methyl-1,3-thiazol-5-yl)methanone
CID 133121944
3-(4-ethyl-2-methyl-1,3-thiazole-5-carbonyl)-7-methyl-3,7,11-triazaspiro[5.6]dodecan-12-one
CID 56753419
[(1S,5R)-6-(4-ethyl-2-methyl-1,3-thiazole-5-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-pyridin-2-ylmethanone
CID 72852290
(2,4-dimethyl-1,3-thiazol-5-yl)-[4-[(3-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]methanone
CID 126872700
1-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]-2-pyrazol-1-ylbutan-1-one
CID 70724830
[4-(3-methyl-2-pyridinyl)piperazin-1-yl]-(tetrazolo[1,5-a]pyridin-6-yl)methanone
CID 70732499
1-methyl-4-(3-methyl-2-pyridinyl)piperazine
CID 46739573
(2,4-dimethyl-1,3-thiazol-5-yl)-[4-(6-pyridin-2-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 121058233
(4-ethyl-2-methyl-1,3-thiazol-5-yl)-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 71705869

Frequently Asked Questions

What is the IUPAC name of (4-ethyl-2-methyl-1,3-thiazol-5-yl)-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]methanone?
The IUPAC name of (4-ethyl-2-methyl-1,3-thiazol-5-yl)-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]methanone (CID 70712734) is (4-ethyl-2-methyl-1,3-thiazol-5-yl)-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-ethyl-2-methyl-1,3-thiazol-5-yl)-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]methanone?
The canonical SMILES for (4-ethyl-2-methyl-1,3-thiazol-5-yl)-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]methanone is CCc1nc(C)sc1C(=O)N1CCN(c2ncccc2C)CC1.
What is the InChIKey of (4-ethyl-2-methyl-1,3-thiazol-5-yl)-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]methanone?
The InChIKey is NPRNYEDFBZVNKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4OS/c1-4-14-15(23-13(3)19-14)17(22)21-10-8-20(9-11-21)16-12(2)6-5-7-18-16/h5-7H,4,8-11H2,1-3H3.
What are the key properties of (4-ethyl-2-methyl-1,3-thiazol-5-yl)-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]methanone?
(4-ethyl-2-methyl-1,3-thiazol-5-yl)-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]methanone has a molecular weight of 330.46 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethyl-2-methyl-1,3-thiazol-5-yl)-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]methanone is sourced from PubChem (CID 70712734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).