[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]-(2-methylsulfanyl-1,3-thiazol-4-yl)methanone

C15H19N5OS2 — CID 91764531

IUPAC[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]-(2-methylsulfanyl-1,3-thiazol-4-yl)methanone
SMILESCCc1cc(N2CCN(C(=O)c3csc(SC)n3)CC2)ncn1
InChIInChI=1S/C15H19N5OS2/c1-3-11-8-13(17-10-16-11)19-4-6-20(7-5-19)14(21)12-9-23-15(18-12)22-2/h8-10H,3-7H2,1-2H3
InChIKeyGFQASLDZVWKYCO-UHFFFAOYSA-N
MW349.49 g/mol
LogP2.18
Rot. Bonds4

About [4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]-(2-methylsulfanyl-1,3-thiazol-4-yl)methanone

[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]-(2-methylsulfanyl-1,3-thiazol-4-yl)methanone (PubChem CID 91764531) has the molecular formula C15H19N5OS2 and a molecular weight of 349.49 g/mol. Its IUPAC name is [4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]-(2-methylsulfanyl-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]-(2-methylsulfanyl-1,3-thiazol-4-yl)methanone
PubChem CID91764531
Molecular FormulaC15H19N5OS2
Molecular Weight349.49 g/mol
Exact Mass349.10
IUPAC Name[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]-(2-methylsulfanyl-1,3-thiazol-4-yl)methanone
SMILESCCc1cc(N2CCN(C(=O)c3csc(SC)n3)CC2)ncn1
InChIInChI=1S/C15H19N5OS2/c1-3-11-8-13(17-10-16-11)19-4-6-20(7-5-19)14(21)12-9-23-15(18-12)22-2/h8-10H,3-7H2,1-2H3
InChIKeyGFQASLDZVWKYCO-UHFFFAOYSA-N
XLogP2.18
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.49
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[4-(2-methyl-4-pyridinyl)piperazin-1-yl]-(2-methylsulfanyl-1,3-thiazol-4-yl)methanone
CID 91775347
tert-butyl 4-(6-ethylpyrimidin-4-yl)piperazine-1-carboxylate
CID 86690166
1-[4-[4-(6-ethylpyrimidin-4-yl)piperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 91785161
[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]-(5-methyl-1-propylpyrazol-4-yl)methanone
CID 72892433
[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 131935828
2,5-dihydro-1H-pyrrol-2-yl-[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]methanone;dihydrochloride
CID 154911487
[(2S)-2,5-dihydro-1H-pyrrol-2-yl]-[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 125443911
[(1S,3R,4R)-3-amino-4-hydroxycyclopentyl]-[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]methanone;dihydrochloride
CID 155938932
N-[[(1R,2S,5R)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]-4-(6-ethylpyrimidin-4-yl)piperazine-1-carboxamide
CID 121494831
1-[4-[6-(pyrrolidine-1-carbonyl)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 109341019
1-[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]-2-indazol-1-ylethanone
CID 91764065
[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]-[(4S)-2,3,4,5-tetrahydro-1-benzoxepin-4-yl]methanone
CID 97443810

Frequently Asked Questions

What is the IUPAC name of [4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]-(2-methylsulfanyl-1,3-thiazol-4-yl)methanone?
The IUPAC name of [4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]-(2-methylsulfanyl-1,3-thiazol-4-yl)methanone (CID 91764531) is [4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]-(2-methylsulfanyl-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]-(2-methylsulfanyl-1,3-thiazol-4-yl)methanone?
The canonical SMILES for [4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]-(2-methylsulfanyl-1,3-thiazol-4-yl)methanone is CCc1cc(N2CCN(C(=O)c3csc(SC)n3)CC2)ncn1.
What is the InChIKey of [4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]-(2-methylsulfanyl-1,3-thiazol-4-yl)methanone?
The InChIKey is GFQASLDZVWKYCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5OS2/c1-3-11-8-13(17-10-16-11)19-4-6-20(7-5-19)14(21)12-9-23-15(18-12)22-2/h8-10H,3-7H2,1-2H3.
What are the key properties of [4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]-(2-methylsulfanyl-1,3-thiazol-4-yl)methanone?
[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]-(2-methylsulfanyl-1,3-thiazol-4-yl)methanone has a molecular weight of 349.49 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]-(2-methylsulfanyl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 91764531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).