2-[2-(4-fluorophenoxy)ethylsulfonylamino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide

C15H18FN3O4S2 — CID 90518649

IUPAC2-[2-(4-fluorophenoxy)ethylsulfonylamino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(NS(=O)(=O)CCOc2ccc(F)cc2)sc1C(=O)N(C)C
InChIInChI=1S/C15H18FN3O4S2/c1-10-13(14(20)19(2)3)24-15(17-10)18-25(21,22)9-8-23-12-6-4-11(16)5-7-12/h4-7H,8-9H2,1-3H3,(H,17,18)
InChIKeyIPBRUVNIBVBCHM-UHFFFAOYSA-N
MW387.46 g/mol
LogP2.11
Rot. Bonds7

About 2-[2-(4-fluorophenoxy)ethylsulfonylamino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide

2-[2-(4-fluorophenoxy)ethylsulfonylamino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide (PubChem CID 90518649) has the molecular formula C15H18FN3O4S2 and a molecular weight of 387.46 g/mol. Its IUPAC name is 2-[2-(4-fluorophenoxy)ethylsulfonylamino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[2-(4-fluorophenoxy)ethylsulfonylamino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
PubChem CID90518649
Molecular FormulaC15H18FN3O4S2
Molecular Weight387.46 g/mol
Exact Mass387.07
IUPAC Name2-[2-(4-fluorophenoxy)ethylsulfonylamino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(NS(=O)(=O)CCOc2ccc(F)cc2)sc1C(=O)N(C)C
InChIInChI=1S/C15H18FN3O4S2/c1-10-13(14(20)19(2)3)24-15(17-10)18-25(21,22)9-8-23-12-6-4-11(16)5-7-12/h4-7H,8-9H2,1-3H3,(H,17,18)
InChIKeyIPBRUVNIBVBCHM-UHFFFAOYSA-N
XLogP2.11
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenoxy)ethylsulfonylamino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[2-(4-fluorophenoxy)ethylsulfonylamino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide (CID 90518649) is 2-[2-(4-fluorophenoxy)ethylsulfonylamino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[2-(4-fluorophenoxy)ethylsulfonylamino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[2-(4-fluorophenoxy)ethylsulfonylamino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide is Cc1nc(NS(=O)(=O)CCOc2ccc(F)cc2)sc1C(=O)N(C)C.
What is the InChIKey of 2-[2-(4-fluorophenoxy)ethylsulfonylamino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide?
The InChIKey is IPBRUVNIBVBCHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O4S2/c1-10-13(14(20)19(2)3)24-15(17-10)18-25(21,22)9-8-23-12-6-4-11(16)5-7-12/h4-7H,8-9H2,1-3H3,(H,17,18).
What are the key properties of 2-[2-(4-fluorophenoxy)ethylsulfonylamino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide?
2-[2-(4-fluorophenoxy)ethylsulfonylamino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide has a molecular weight of 387.46 g/mol, XLogP of 2.11, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenoxy)ethylsulfonylamino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 90518649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).