1-[4-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperazin-1-yl]-2-methoxyethanone

C10H14ClN3O4S2 — CID 61047437

IUPAC1-[4-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperazin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCN(S(=O)(=O)c2cnc(Cl)s2)CC1
InChIInChI=1S/C10H14ClN3O4S2/c1-18-7-8(15)13-2-4-14(5-3-13)20(16,17)9-6-12-10(11)19-9/h6H,2-5,7H2,1H3
InChIKeyGCCMQEXKKPFPHF-UHFFFAOYSA-N
MW339.83 g/mol
LogP0.28
Rot. Bonds4

About 1-[4-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperazin-1-yl]-2-methoxyethanone

1-[4-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperazin-1-yl]-2-methoxyethanone (PubChem CID 61047437) has the molecular formula C10H14ClN3O4S2 and a molecular weight of 339.83 g/mol. Its IUPAC name is 1-[4-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperazin-1-yl]-2-methoxyethanone.

Molecular Properties

Compound Name1-[4-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperazin-1-yl]-2-methoxyethanone
PubChem CID61047437
Molecular FormulaC10H14ClN3O4S2
Molecular Weight339.83 g/mol
Exact Mass339.01
IUPAC Name1-[4-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperazin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCN(S(=O)(=O)c2cnc(Cl)s2)CC1
InChIInChI=1S/C10H14ClN3O4S2/c1-18-7-8(15)13-2-4-14(5-3-13)20(16,17)9-6-12-10(11)19-9/h6H,2-5,7H2,1H3
InChIKeyGCCMQEXKKPFPHF-UHFFFAOYSA-N
XLogP0.28
TPSA79.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.83
LogP ≤ 50.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperazin-1-yl]-2-methoxyethanone?
The IUPAC name of 1-[4-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperazin-1-yl]-2-methoxyethanone (CID 61047437) is 1-[4-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperazin-1-yl]-2-methoxyethanone.
What is the SMILES notation for 1-[4-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperazin-1-yl]-2-methoxyethanone?
The canonical SMILES for 1-[4-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperazin-1-yl]-2-methoxyethanone is COCC(=O)N1CCN(S(=O)(=O)c2cnc(Cl)s2)CC1.
What is the InChIKey of 1-[4-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperazin-1-yl]-2-methoxyethanone?
The InChIKey is GCCMQEXKKPFPHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O4S2/c1-18-7-8(15)13-2-4-14(5-3-13)20(16,17)9-6-12-10(11)19-9/h6H,2-5,7H2,1H3.
What are the key properties of 1-[4-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperazin-1-yl]-2-methoxyethanone?
1-[4-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperazin-1-yl]-2-methoxyethanone has a molecular weight of 339.83 g/mol, XLogP of 0.28, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperazin-1-yl]-2-methoxyethanone is sourced from PubChem (CID 61047437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).