methyl 4-cyclopropyl-2-[(4-fluorophenyl)sulfonylamino]-1,3-thiazole-5-carboxylate

C14H13FN2O4S2 — CID 141488363

IUPACmethyl 4-cyclopropyl-2-[(4-fluorophenyl)sulfonylamino]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(NS(=O)(=O)c2ccc(F)cc2)nc1C1CC1
InChIInChI=1S/C14H13FN2O4S2/c1-21-13(18)12-11(8-2-3-8)16-14(22-12)17-23(19,20)10-6-4-9(15)5-7-10/h4-8H,2-3H2,1H3,(H,16,17)
InChIKeyYQUKNFBBLMVPHK-UHFFFAOYSA-N
MW356.40 g/mol
LogP2.75
Rot. Bonds5

About methyl 4-cyclopropyl-2-[(4-fluorophenyl)sulfonylamino]-1,3-thiazole-5-carboxylate

methyl 4-cyclopropyl-2-[(4-fluorophenyl)sulfonylamino]-1,3-thiazole-5-carboxylate (PubChem CID 141488363) has the molecular formula C14H13FN2O4S2 and a molecular weight of 356.40 g/mol. Its IUPAC name is methyl 4-cyclopropyl-2-[(4-fluorophenyl)sulfonylamino]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-cyclopropyl-2-[(4-fluorophenyl)sulfonylamino]-1,3-thiazole-5-carboxylate
PubChem CID141488363
Molecular FormulaC14H13FN2O4S2
Molecular Weight356.40 g/mol
Exact Mass356.03
IUPAC Namemethyl 4-cyclopropyl-2-[(4-fluorophenyl)sulfonylamino]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(NS(=O)(=O)c2ccc(F)cc2)nc1C1CC1
InChIInChI=1S/C14H13FN2O4S2/c1-21-13(18)12-11(8-2-3-8)16-14(22-12)17-23(19,20)10-6-4-9(15)5-7-10/h4-8H,2-3H2,1H3,(H,16,17)
InChIKeyYQUKNFBBLMVPHK-UHFFFAOYSA-N
XLogP2.75
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4-cyclopropyl-2-[(4-fluorophenyl)sulfonylamino]-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 4-cyclopropyl-2-[(4-fluorophenyl)sulfonylamino]-1,3-thiazole-5-carboxylate (CID 141488363) is methyl 4-cyclopropyl-2-[(4-fluorophenyl)sulfonylamino]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 4-cyclopropyl-2-[(4-fluorophenyl)sulfonylamino]-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 4-cyclopropyl-2-[(4-fluorophenyl)sulfonylamino]-1,3-thiazole-5-carboxylate is COC(=O)c1sc(NS(=O)(=O)c2ccc(F)cc2)nc1C1CC1.
What is the InChIKey of methyl 4-cyclopropyl-2-[(4-fluorophenyl)sulfonylamino]-1,3-thiazole-5-carboxylate?
The InChIKey is YQUKNFBBLMVPHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O4S2/c1-21-13(18)12-11(8-2-3-8)16-14(22-12)17-23(19,20)10-6-4-9(15)5-7-10/h4-8H,2-3H2,1H3,(H,16,17).
What are the key properties of methyl 4-cyclopropyl-2-[(4-fluorophenyl)sulfonylamino]-1,3-thiazole-5-carboxylate?
methyl 4-cyclopropyl-2-[(4-fluorophenyl)sulfonylamino]-1,3-thiazole-5-carboxylate has a molecular weight of 356.40 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-cyclopropyl-2-[(4-fluorophenyl)sulfonylamino]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 141488363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).