4-[[4-(6-chloropyrazin-2-yl)piperazin-1-yl]methyl]-2-ethyl-1,3-thiazole

C14H18ClN5S — CID 133272934

IUPAC4-[[4-(6-chloropyrazin-2-yl)piperazin-1-yl]methyl]-2-ethyl-1,3-thiazole
SMILESCCc1nc(CN2CCN(c3cncc(Cl)n3)CC2)cs1
InChIInChI=1S/C14H18ClN5S/c1-2-14-17-11(10-21-14)9-19-3-5-20(6-4-19)13-8-16-7-12(15)18-13/h7-8,10H,2-6,9H2,1H3
InChIKeyIXDVEBMVACRROT-UHFFFAOYSA-N
MW323.85 g/mol
LogP2.47
Rot. Bonds4

About 4-[[4-(6-chloropyrazin-2-yl)piperazin-1-yl]methyl]-2-ethyl-1,3-thiazole

4-[[4-(6-chloropyrazin-2-yl)piperazin-1-yl]methyl]-2-ethyl-1,3-thiazole (PubChem CID 133272934) has the molecular formula C14H18ClN5S and a molecular weight of 323.85 g/mol. Its IUPAC name is 4-[[4-(6-chloropyrazin-2-yl)piperazin-1-yl]methyl]-2-ethyl-1,3-thiazole.

Molecular Properties

Compound Name4-[[4-(6-chloropyrazin-2-yl)piperazin-1-yl]methyl]-2-ethyl-1,3-thiazole
PubChem CID133272934
Molecular FormulaC14H18ClN5S
Molecular Weight323.85 g/mol
Exact Mass323.10
IUPAC Name4-[[4-(6-chloropyrazin-2-yl)piperazin-1-yl]methyl]-2-ethyl-1,3-thiazole
SMILESCCc1nc(CN2CCN(c3cncc(Cl)n3)CC2)cs1
InChIInChI=1S/C14H18ClN5S/c1-2-14-17-11(10-21-14)9-19-3-5-20(6-4-19)13-8-16-7-12(15)18-13/h7-8,10H,2-6,9H2,1H3
InChIKeyIXDVEBMVACRROT-UHFFFAOYSA-N
XLogP2.47
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.85
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-6-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]pyrimidin-2-amine
CID 133272930
4-[[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methyl]-2-ethyl-1,3-thiazole
CID 133272943
4-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-N,N,6-trimethylpyrimidin-2-amine
CID 166136014
2-amino-1-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-2-methylpropan-1-one
CID 119864313
2-ethyl-4-[[4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperazin-1-yl]methyl]-1,3-thiazole
CID 133272924
2-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-1,3-benzothiazole
CID 60508451
[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-(2-methyl-1H-imidazol-5-yl)methanone
CID 132969827
(3S,4S)-1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-methylpyrrolidine-3-carboxylic acid
CID 98534340
2-chloro-6-(4-propan-2-ylpiperazin-1-yl)pyrazine
CID 61362795
[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]methanamine
CID 62417334
N-ethyl-N-[4-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 35015644
[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone;dihydrochloride
CID 119864336

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(6-chloropyrazin-2-yl)piperazin-1-yl]methyl]-2-ethyl-1,3-thiazole?
The IUPAC name of 4-[[4-(6-chloropyrazin-2-yl)piperazin-1-yl]methyl]-2-ethyl-1,3-thiazole (CID 133272934) is 4-[[4-(6-chloropyrazin-2-yl)piperazin-1-yl]methyl]-2-ethyl-1,3-thiazole.
What is the SMILES notation for 4-[[4-(6-chloropyrazin-2-yl)piperazin-1-yl]methyl]-2-ethyl-1,3-thiazole?
The canonical SMILES for 4-[[4-(6-chloropyrazin-2-yl)piperazin-1-yl]methyl]-2-ethyl-1,3-thiazole is CCc1nc(CN2CCN(c3cncc(Cl)n3)CC2)cs1.
What is the InChIKey of 4-[[4-(6-chloropyrazin-2-yl)piperazin-1-yl]methyl]-2-ethyl-1,3-thiazole?
The InChIKey is IXDVEBMVACRROT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN5S/c1-2-14-17-11(10-21-14)9-19-3-5-20(6-4-19)13-8-16-7-12(15)18-13/h7-8,10H,2-6,9H2,1H3.
What are the key properties of 4-[[4-(6-chloropyrazin-2-yl)piperazin-1-yl]methyl]-2-ethyl-1,3-thiazole?
4-[[4-(6-chloropyrazin-2-yl)piperazin-1-yl]methyl]-2-ethyl-1,3-thiazole has a molecular weight of 323.85 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(6-chloropyrazin-2-yl)piperazin-1-yl]methyl]-2-ethyl-1,3-thiazole is sourced from PubChem (CID 133272934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).