(4-ethyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone

C18H19N7OS — CID 154821155

IUPAC(4-ethyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
SMILESCCc1nc(-c2ncccn2)sc1C(=O)N1CCN(c2cnccn2)CC1
InChIInChI=1S/C18H19N7OS/c1-2-13-15(27-17(23-13)16-21-4-3-5-22-16)18(26)25-10-8-24(9-11-25)14-12-19-6-7-20-14/h3-7,12H,2,8-11H2,1H3
InChIKeyUJWOAVPRZWKLKW-UHFFFAOYSA-N
MW381.47 g/mol
LogP1.91
Rot. Bonds4

About (4-ethyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone

(4-ethyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone (PubChem CID 154821155) has the molecular formula C18H19N7OS and a molecular weight of 381.47 g/mol. Its IUPAC name is (4-ethyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(4-ethyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
PubChem CID154821155
Molecular FormulaC18H19N7OS
Molecular Weight381.47 g/mol
Exact Mass381.14
IUPAC Name(4-ethyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
SMILESCCc1nc(-c2ncccn2)sc1C(=O)N1CCN(c2cnccn2)CC1
InChIInChI=1S/C18H19N7OS/c1-2-13-15(27-17(23-13)16-21-4-3-5-22-16)18(26)25-10-8-24(9-11-25)14-12-19-6-7-20-14/h3-7,12H,2,8-11H2,1H3
InChIKeyUJWOAVPRZWKLKW-UHFFFAOYSA-N
XLogP1.91
TPSA88.00 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.47
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (4-ethyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone with MolForge

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Related Compounds

1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one
CID 60715497
1-(4-ethyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)propan-1-one
CID 170389034
[4-(3-amino-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-(4-ethyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone
CID 154822017
(2-methylsulfanyl-3-pyridinyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 42023433
(4-ethyl-2-methyl-1,3-thiazol-5-yl)-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]methanone
CID 70712734
(3,5-dimethylphenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 42023194
(4-ethyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)-(2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)methanone
CID 59579880
1-(4-pyrazin-2-ylpiperazin-1-yl)pentan-1-one
CID 143717135
2,2-dimethyl-N-[4-methyl-5-(4-pyrazin-2-ylpiperazine-1-carbonyl)thiophen-2-yl]propanamide
CID 18168283
(2S)-2-amino-1-(4-pyrazin-2-ylpiperazin-1-yl)butan-1-one
CID 79024559
2-ethoxy-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone
CID 60712299
(2,3-dimethylphenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 42023215

Frequently Asked Questions

What is the IUPAC name of (4-ethyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (4-ethyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone (CID 154821155) is (4-ethyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (4-ethyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (4-ethyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone is CCc1nc(-c2ncccn2)sc1C(=O)N1CCN(c2cnccn2)CC1.
What is the InChIKey of (4-ethyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
The InChIKey is UJWOAVPRZWKLKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N7OS/c1-2-13-15(27-17(23-13)16-21-4-3-5-22-16)18(26)25-10-8-24(9-11-25)14-12-19-6-7-20-14/h3-7,12H,2,8-11H2,1H3.
What are the key properties of (4-ethyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
(4-ethyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone has a molecular weight of 381.47 g/mol, XLogP of 1.91, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 154821155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).