2-(1-ethoxyethyl)-4-[(4-ethylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole

C14H25N3O3S2 — CID 122157188

IUPAC2-(1-ethoxyethyl)-4-[(4-ethylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole
SMILESCCOC(C)c1nc(CN2CCN(S(=O)(=O)CC)CC2)cs1
InChIInChI=1S/C14H25N3O3S2/c1-4-20-12(3)14-15-13(11-21-14)10-16-6-8-17(9-7-16)22(18,19)5-2/h11-12H,4-10H2,1-3H3
InChIKeyQEBCKGNVZABXSI-UHFFFAOYSA-N
MW347.51 g/mol
LogP1.71
Rot. Bonds7

About 2-(1-ethoxyethyl)-4-[(4-ethylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole

2-(1-ethoxyethyl)-4-[(4-ethylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole (PubChem CID 122157188) has the molecular formula C14H25N3O3S2 and a molecular weight of 347.51 g/mol. Its IUPAC name is 2-(1-ethoxyethyl)-4-[(4-ethylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-(1-ethoxyethyl)-4-[(4-ethylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole
PubChem CID122157188
Molecular FormulaC14H25N3O3S2
Molecular Weight347.51 g/mol
Exact Mass347.13
IUPAC Name2-(1-ethoxyethyl)-4-[(4-ethylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole
SMILESCCOC(C)c1nc(CN2CCN(S(=O)(=O)CC)CC2)cs1
InChIInChI=1S/C14H25N3O3S2/c1-4-20-12(3)14-15-13(11-21-14)10-16-6-8-17(9-7-16)22(18,19)5-2/h11-12H,4-10H2,1-3H3
InChIKeyQEBCKGNVZABXSI-UHFFFAOYSA-N
XLogP1.71
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.51
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxyethyl)-4-[(4-ethylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole?
The IUPAC name of 2-(1-ethoxyethyl)-4-[(4-ethylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole (CID 122157188) is 2-(1-ethoxyethyl)-4-[(4-ethylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 2-(1-ethoxyethyl)-4-[(4-ethylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole?
The canonical SMILES for 2-(1-ethoxyethyl)-4-[(4-ethylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole is CCOC(C)c1nc(CN2CCN(S(=O)(=O)CC)CC2)cs1.
What is the InChIKey of 2-(1-ethoxyethyl)-4-[(4-ethylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole?
The InChIKey is QEBCKGNVZABXSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3S2/c1-4-20-12(3)14-15-13(11-21-14)10-16-6-8-17(9-7-16)22(18,19)5-2/h11-12H,4-10H2,1-3H3.
What are the key properties of 2-(1-ethoxyethyl)-4-[(4-ethylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole?
2-(1-ethoxyethyl)-4-[(4-ethylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole has a molecular weight of 347.51 g/mol, XLogP of 1.71, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxyethyl)-4-[(4-ethylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 122157188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).