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

C15H18N4OS2 — CID 91775347

IUPAC[4-(2-methyl-4-pyridinyl)piperazin-1-yl]-(2-methylsulfanyl-1,3-thiazol-4-yl)methanone
SMILESCSc1nc(C(=O)N2CCN(c3ccnc(C)c3)CC2)cs1
InChIInChI=1S/C15H18N4OS2/c1-11-9-12(3-4-16-11)18-5-7-19(8-6-18)14(20)13-10-22-15(17-13)21-2/h3-4,9-10H,5-8H2,1-2H3
InChIKeyOMOIJGYVORWVSN-UHFFFAOYSA-N
MW334.47 g/mol
LogP2.53
Rot. Bonds3

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

[4-(2-methyl-4-pyridinyl)piperazin-1-yl]-(2-methylsulfanyl-1,3-thiazol-4-yl)methanone (PubChem CID 91775347) has the molecular formula C15H18N4OS2 and a molecular weight of 334.47 g/mol. Its IUPAC name is [4-(2-methyl-4-pyridinyl)piperazin-1-yl]-(2-methylsulfanyl-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[4-(2-methyl-4-pyridinyl)piperazin-1-yl]-(2-methylsulfanyl-1,3-thiazol-4-yl)methanone
PubChem CID91775347
Molecular FormulaC15H18N4OS2
Molecular Weight334.47 g/mol
Exact Mass334.09
IUPAC Name[4-(2-methyl-4-pyridinyl)piperazin-1-yl]-(2-methylsulfanyl-1,3-thiazol-4-yl)methanone
SMILESCSc1nc(C(=O)N2CCN(c3ccnc(C)c3)CC2)cs1
InChIInChI=1S/C15H18N4OS2/c1-11-9-12(3-4-16-11)18-5-7-19(8-6-18)14(20)13-10-22-15(17-13)21-2/h3-4,9-10H,5-8H2,1-2H3
InChIKeyOMOIJGYVORWVSN-UHFFFAOYSA-N
XLogP2.53
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.47
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]-(2-methylsulfanyl-1,3-thiazol-4-yl)methanone
CID 91764531
(3-hydroxyphenyl)-[4-(2-methyl-4-pyridinyl)piperazin-1-yl]methanone
CID 133464338
[4-(2-methyl-4-pyridinyl)-1,4-diazepan-1-yl]-(4-methyl-1,2,5-thiadiazol-3-yl)methanone
CID 138809548
pyrrolidin-1-yl-(4-pyrrolidin-1-yl-2-pyridinyl)methanone
CID 10776780
1-[4-[4-(azepan-1-yl)pyridine-2-carbonyl]piperazin-1-yl]ethanone
CID 109209058
(4-piperidin-1-yl-2-pyridinyl)-pyrrolidin-1-ylmethanone
CID 109203615
piperidin-1-yl-(4-pyrrolidin-1-yl-2-pyridinyl)methanone
CID 109203804
5-methyl-2-[4-(2-methyl-4-pyridinyl)-1,4-diazepane-1-carbonyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 154567222
4-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]pyridine-2-carboxamide
CID 133313979
1-[4-(4-morpholin-4-ylpyridine-2-carbonyl)piperazin-1-yl]ethanone
CID 109206574
[4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109203696
[4-(3-methylphenyl)piperazin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone
CID 27049058

Frequently Asked Questions

What is the IUPAC name of [4-(2-methyl-4-pyridinyl)piperazin-1-yl]-(2-methylsulfanyl-1,3-thiazol-4-yl)methanone?
The IUPAC name of [4-(2-methyl-4-pyridinyl)piperazin-1-yl]-(2-methylsulfanyl-1,3-thiazol-4-yl)methanone (CID 91775347) is [4-(2-methyl-4-pyridinyl)piperazin-1-yl]-(2-methylsulfanyl-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [4-(2-methyl-4-pyridinyl)piperazin-1-yl]-(2-methylsulfanyl-1,3-thiazol-4-yl)methanone?
The canonical SMILES for [4-(2-methyl-4-pyridinyl)piperazin-1-yl]-(2-methylsulfanyl-1,3-thiazol-4-yl)methanone is CSc1nc(C(=O)N2CCN(c3ccnc(C)c3)CC2)cs1.
What is the InChIKey of [4-(2-methyl-4-pyridinyl)piperazin-1-yl]-(2-methylsulfanyl-1,3-thiazol-4-yl)methanone?
The InChIKey is OMOIJGYVORWVSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4OS2/c1-11-9-12(3-4-16-11)18-5-7-19(8-6-18)14(20)13-10-22-15(17-13)21-2/h3-4,9-10H,5-8H2,1-2H3.
What are the key properties of [4-(2-methyl-4-pyridinyl)piperazin-1-yl]-(2-methylsulfanyl-1,3-thiazol-4-yl)methanone?
[4-(2-methyl-4-pyridinyl)piperazin-1-yl]-(2-methylsulfanyl-1,3-thiazol-4-yl)methanone has a molecular weight of 334.47 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methyl-4-pyridinyl)piperazin-1-yl]-(2-methylsulfanyl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 91775347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).