2-(4-cyclopropylsulfonylpiperazin-1-yl)-4-thiophen-3-yl-1,3-thiazole

C14H17N3O2S3 — CID 71811083

IUPAC2-(4-cyclopropylsulfonylpiperazin-1-yl)-4-thiophen-3-yl-1,3-thiazole
SMILESO=S(=O)(C1CC1)N1CCN(c2nc(-c3ccsc3)cs2)CC1
InChIInChI=1S/C14H17N3O2S3/c18-22(19,12-1-2-12)17-6-4-16(5-7-17)14-15-13(10-21-14)11-3-8-20-9-11/h3,8-10,12H,1-2,4-7H2
InChIKeyHGKMKSGILDXCMY-UHFFFAOYSA-N
MW355.51 g/mol
LogP2.49
Rot. Bonds4

About 2-(4-cyclopropylsulfonylpiperazin-1-yl)-4-thiophen-3-yl-1,3-thiazole

2-(4-cyclopropylsulfonylpiperazin-1-yl)-4-thiophen-3-yl-1,3-thiazole (PubChem CID 71811083) has the molecular formula C14H17N3O2S3 and a molecular weight of 355.51 g/mol. Its IUPAC name is 2-(4-cyclopropylsulfonylpiperazin-1-yl)-4-thiophen-3-yl-1,3-thiazole.

Molecular Properties

Compound Name2-(4-cyclopropylsulfonylpiperazin-1-yl)-4-thiophen-3-yl-1,3-thiazole
PubChem CID71811083
Molecular FormulaC14H17N3O2S3
Molecular Weight355.51 g/mol
Exact Mass355.05
IUPAC Name2-(4-cyclopropylsulfonylpiperazin-1-yl)-4-thiophen-3-yl-1,3-thiazole
SMILESO=S(=O)(C1CC1)N1CCN(c2nc(-c3ccsc3)cs2)CC1
InChIInChI=1S/C14H17N3O2S3/c18-22(19,12-1-2-12)17-6-4-16(5-7-17)14-15-13(10-21-14)11-3-8-20-9-11/h3,8-10,12H,1-2,4-7H2
InChIKeyHGKMKSGILDXCMY-UHFFFAOYSA-N
XLogP2.49
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.51
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropylsulfonylpiperazin-1-yl)-4-thiophen-3-yl-1,3-thiazole?
The IUPAC name of 2-(4-cyclopropylsulfonylpiperazin-1-yl)-4-thiophen-3-yl-1,3-thiazole (CID 71811083) is 2-(4-cyclopropylsulfonylpiperazin-1-yl)-4-thiophen-3-yl-1,3-thiazole.
What is the SMILES notation for 2-(4-cyclopropylsulfonylpiperazin-1-yl)-4-thiophen-3-yl-1,3-thiazole?
The canonical SMILES for 2-(4-cyclopropylsulfonylpiperazin-1-yl)-4-thiophen-3-yl-1,3-thiazole is O=S(=O)(C1CC1)N1CCN(c2nc(-c3ccsc3)cs2)CC1.
What is the InChIKey of 2-(4-cyclopropylsulfonylpiperazin-1-yl)-4-thiophen-3-yl-1,3-thiazole?
The InChIKey is HGKMKSGILDXCMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S3/c18-22(19,12-1-2-12)17-6-4-16(5-7-17)14-15-13(10-21-14)11-3-8-20-9-11/h3,8-10,12H,1-2,4-7H2.
What are the key properties of 2-(4-cyclopropylsulfonylpiperazin-1-yl)-4-thiophen-3-yl-1,3-thiazole?
2-(4-cyclopropylsulfonylpiperazin-1-yl)-4-thiophen-3-yl-1,3-thiazole has a molecular weight of 355.51 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropylsulfonylpiperazin-1-yl)-4-thiophen-3-yl-1,3-thiazole is sourced from PubChem (CID 71811083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).