4-(furan-2-yl)-2-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole

C13H17N3O3S2 — CID 30463781

IUPAC4-(furan-2-yl)-2-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole
SMILESCS(=O)(=O)N1CCN(Cc2nc(-c3ccco3)cs2)CC1
InChIInChI=1S/C13H17N3O3S2/c1-21(17,18)16-6-4-15(5-7-16)9-13-14-11(10-20-13)12-3-2-8-19-12/h2-3,8,10H,4-7,9H2,1H3
InChIKeyGYQUDXQGRVOMHE-UHFFFAOYSA-N
MW327.43 g/mol
LogP1.48
Rot. Bonds4

About 4-(furan-2-yl)-2-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole

4-(furan-2-yl)-2-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole (PubChem CID 30463781) has the molecular formula C13H17N3O3S2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 4-(furan-2-yl)-2-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-(furan-2-yl)-2-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole
PubChem CID30463781
Molecular FormulaC13H17N3O3S2
Molecular Weight327.43 g/mol
Exact Mass327.07
IUPAC Name4-(furan-2-yl)-2-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole
SMILESCS(=O)(=O)N1CCN(Cc2nc(-c3ccco3)cs2)CC1
InChIInChI=1S/C13H17N3O3S2/c1-21(17,18)16-6-4-15(5-7-16)9-13-14-11(10-20-13)12-3-2-8-19-12/h2-3,8,10H,4-7,9H2,1H3
InChIKeyGYQUDXQGRVOMHE-UHFFFAOYSA-N
XLogP1.48
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-2-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole?
The IUPAC name of 4-(furan-2-yl)-2-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole (CID 30463781) is 4-(furan-2-yl)-2-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 4-(furan-2-yl)-2-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole?
The canonical SMILES for 4-(furan-2-yl)-2-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole is CS(=O)(=O)N1CCN(Cc2nc(-c3ccco3)cs2)CC1.
What is the InChIKey of 4-(furan-2-yl)-2-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole?
The InChIKey is GYQUDXQGRVOMHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S2/c1-21(17,18)16-6-4-15(5-7-16)9-13-14-11(10-20-13)12-3-2-8-19-12/h2-3,8,10H,4-7,9H2,1H3.
What are the key properties of 4-(furan-2-yl)-2-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole?
4-(furan-2-yl)-2-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole has a molecular weight of 327.43 g/mol, XLogP of 1.48, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-2-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 30463781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).