5-chloro-2-(4-ethylpiperazin-1-yl)-4-(4-methylphenyl)sulfonyl-1,3-thiazole

C16H20ClN3O2S2 — CID 2107753

IUPAC5-chloro-2-(4-ethylpiperazin-1-yl)-4-(4-methylphenyl)sulfonyl-1,3-thiazole
SMILESCCN1CCN(c2nc(S(=O)(=O)c3ccc(C)cc3)c(Cl)s2)CC1
InChIInChI=1S/C16H20ClN3O2S2/c1-3-19-8-10-20(11-9-19)16-18-15(14(17)23-16)24(21,22)13-6-4-12(2)5-7-13/h4-7H,3,8-11H2,1-2H3
InChIKeySEQLVUQDZYEKJB-UHFFFAOYSA-N
MW385.94 g/mol
LogP3.08
Rot. Bonds4

About 5-chloro-2-(4-ethylpiperazin-1-yl)-4-(4-methylphenyl)sulfonyl-1,3-thiazole

5-chloro-2-(4-ethylpiperazin-1-yl)-4-(4-methylphenyl)sulfonyl-1,3-thiazole (PubChem CID 2107753) has the molecular formula C16H20ClN3O2S2 and a molecular weight of 385.94 g/mol. Its IUPAC name is 5-chloro-2-(4-ethylpiperazin-1-yl)-4-(4-methylphenyl)sulfonyl-1,3-thiazole.

Molecular Properties

Compound Name5-chloro-2-(4-ethylpiperazin-1-yl)-4-(4-methylphenyl)sulfonyl-1,3-thiazole
PubChem CID2107753
Molecular FormulaC16H20ClN3O2S2
Molecular Weight385.94 g/mol
Exact Mass385.07
IUPAC Name5-chloro-2-(4-ethylpiperazin-1-yl)-4-(4-methylphenyl)sulfonyl-1,3-thiazole
SMILESCCN1CCN(c2nc(S(=O)(=O)c3ccc(C)cc3)c(Cl)s2)CC1
InChIInChI=1S/C16H20ClN3O2S2/c1-3-19-8-10-20(11-9-19)16-18-15(14(17)23-16)24(21,22)13-6-4-12(2)5-7-13/h4-7H,3,8-11H2,1-2H3
InChIKeySEQLVUQDZYEKJB-UHFFFAOYSA-N
XLogP3.08
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.94
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(4-ethylpiperazin-1-yl)-4-(4-methylphenyl)sulfonyl-1,3-thiazole?
The IUPAC name of 5-chloro-2-(4-ethylpiperazin-1-yl)-4-(4-methylphenyl)sulfonyl-1,3-thiazole (CID 2107753) is 5-chloro-2-(4-ethylpiperazin-1-yl)-4-(4-methylphenyl)sulfonyl-1,3-thiazole.
What is the SMILES notation for 5-chloro-2-(4-ethylpiperazin-1-yl)-4-(4-methylphenyl)sulfonyl-1,3-thiazole?
The canonical SMILES for 5-chloro-2-(4-ethylpiperazin-1-yl)-4-(4-methylphenyl)sulfonyl-1,3-thiazole is CCN1CCN(c2nc(S(=O)(=O)c3ccc(C)cc3)c(Cl)s2)CC1.
What is the InChIKey of 5-chloro-2-(4-ethylpiperazin-1-yl)-4-(4-methylphenyl)sulfonyl-1,3-thiazole?
The InChIKey is SEQLVUQDZYEKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O2S2/c1-3-19-8-10-20(11-9-19)16-18-15(14(17)23-16)24(21,22)13-6-4-12(2)5-7-13/h4-7H,3,8-11H2,1-2H3.
What are the key properties of 5-chloro-2-(4-ethylpiperazin-1-yl)-4-(4-methylphenyl)sulfonyl-1,3-thiazole?
5-chloro-2-(4-ethylpiperazin-1-yl)-4-(4-methylphenyl)sulfonyl-1,3-thiazole has a molecular weight of 385.94 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(4-ethylpiperazin-1-yl)-4-(4-methylphenyl)sulfonyl-1,3-thiazole is sourced from PubChem (CID 2107753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).