[2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]-(3-methyl-4-pyrazin-2-ylpiperazin-1-yl)methanone

C16H22N6OS — CID 166270136

IUPAC[2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]-(3-methyl-4-pyrazin-2-ylpiperazin-1-yl)methanone
SMILESCCNc1nc(C)c(C(=O)N2CCN(c3cnccn3)C(C)C2)s1
InChIInChI=1S/C16H22N6OS/c1-4-18-16-20-12(3)14(24-16)15(23)21-7-8-22(11(2)10-21)13-9-17-5-6-19-13/h5-6,9,11H,4,7-8,10H2,1-3H3,(H,18,20)
InChIKeyWPMHZFLPXGTBAZ-UHFFFAOYSA-N
MW346.46 g/mol
LogP2.02
Rot. Bonds4

About [2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]-(3-methyl-4-pyrazin-2-ylpiperazin-1-yl)methanone

[2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]-(3-methyl-4-pyrazin-2-ylpiperazin-1-yl)methanone (PubChem CID 166270136) has the molecular formula C16H22N6OS and a molecular weight of 346.46 g/mol. Its IUPAC name is [2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]-(3-methyl-4-pyrazin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]-(3-methyl-4-pyrazin-2-ylpiperazin-1-yl)methanone
PubChem CID166270136
Molecular FormulaC16H22N6OS
Molecular Weight346.46 g/mol
Exact Mass346.16
IUPAC Name[2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]-(3-methyl-4-pyrazin-2-ylpiperazin-1-yl)methanone
SMILESCCNc1nc(C)c(C(=O)N2CCN(c3cnccn3)C(C)C2)s1
InChIInChI=1S/C16H22N6OS/c1-4-18-16-20-12(3)14(24-16)15(23)21-7-8-22(11(2)10-21)13-9-17-5-6-19-13/h5-6,9,11H,4,7-8,10H2,1-3H3,(H,18,20)
InChIKeyWPMHZFLPXGTBAZ-UHFFFAOYSA-N
XLogP2.02
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-(3-methyl-4-pyrazin-2-ylpiperazine-1-carbonyl)thiophen-2-yl]acetamide
CID 166270134
(5-tert-butyl-1,3-oxazol-2-yl)-(3-methyl-4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 167771150
[3-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-[2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]methanone
CID 110119620
[2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]-[(1S,9S)-8-oxa-2,3,4,11-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-11-yl]methanone
CID 118787336
[2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]methanone
CID 118761146
[2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]-[3-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone
CID 110119616
[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-(2-pyrazin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone
CID 146080695
[2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]-[(2R)-2-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)pyrrolidin-1-yl]methanone
CID 92592729
(3R)-8-[2-(ethylamino)-4-methyl-1,3-thiazole-5-carbonyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 97137582
(2,4-dimethyl-1,3-thiazol-5-yl)-[(3S)-3-pyrazin-2-yloxypyrrolidin-1-yl]methanone
CID 100753272
[2-amino-6-[1-[2-(ethylamino)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 110085274
[(3S)-3-methyl-4-pyridin-2-ylpiperazin-1-yl]-[2,4,6-trimethyl-3-[(1-pyrazin-2-ylpiperidin-4-yl)amino]phenyl]methanone
CID 139473858

Frequently Asked Questions

What is the IUPAC name of [2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]-(3-methyl-4-pyrazin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]-(3-methyl-4-pyrazin-2-ylpiperazin-1-yl)methanone (CID 166270136) is [2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]-(3-methyl-4-pyrazin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]-(3-methyl-4-pyrazin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]-(3-methyl-4-pyrazin-2-ylpiperazin-1-yl)methanone is CCNc1nc(C)c(C(=O)N2CCN(c3cnccn3)C(C)C2)s1.
What is the InChIKey of [2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]-(3-methyl-4-pyrazin-2-ylpiperazin-1-yl)methanone?
The InChIKey is WPMHZFLPXGTBAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6OS/c1-4-18-16-20-12(3)14(24-16)15(23)21-7-8-22(11(2)10-21)13-9-17-5-6-19-13/h5-6,9,11H,4,7-8,10H2,1-3H3,(H,18,20).
What are the key properties of [2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]-(3-methyl-4-pyrazin-2-ylpiperazin-1-yl)methanone?
[2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]-(3-methyl-4-pyrazin-2-ylpiperazin-1-yl)methanone has a molecular weight of 346.46 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]-(3-methyl-4-pyrazin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 166270136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).