1-[5-(4-fluoro-3-methylsulfonylphenyl)-4-methyl-1,3-thiazol-2-yl]-3-(2-hydroxyethyl)urea

C14H16FN3O4S2 — CID 11773185

IUPAC1-[5-(4-fluoro-3-methylsulfonylphenyl)-4-methyl-1,3-thiazol-2-yl]-3-(2-hydroxyethyl)urea
SMILESCc1nc(NC(=O)NCCO)sc1-c1ccc(F)c(S(C)(=O)=O)c1
InChIInChI=1S/C14H16FN3O4S2/c1-8-12(23-14(17-8)18-13(20)16-5-6-19)9-3-4-10(15)11(7-9)24(2,21)22/h3-4,7,19H,5-6H2,1-2H3,(H2,16,17,18,20)
InChIKeyZCYBMALCHMTYIF-UHFFFAOYSA-N
MW373.43 g/mol
LogP1.77
Rot. Bonds5

About 1-[5-(4-fluoro-3-methylsulfonylphenyl)-4-methyl-1,3-thiazol-2-yl]-3-(2-hydroxyethyl)urea

1-[5-(4-fluoro-3-methylsulfonylphenyl)-4-methyl-1,3-thiazol-2-yl]-3-(2-hydroxyethyl)urea (PubChem CID 11773185) has the molecular formula C14H16FN3O4S2 and a molecular weight of 373.43 g/mol. Its IUPAC name is 1-[5-(4-fluoro-3-methylsulfonylphenyl)-4-methyl-1,3-thiazol-2-yl]-3-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name1-[5-(4-fluoro-3-methylsulfonylphenyl)-4-methyl-1,3-thiazol-2-yl]-3-(2-hydroxyethyl)urea
PubChem CID11773185
Molecular FormulaC14H16FN3O4S2
Molecular Weight373.43 g/mol
Exact Mass373.06
IUPAC Name1-[5-(4-fluoro-3-methylsulfonylphenyl)-4-methyl-1,3-thiazol-2-yl]-3-(2-hydroxyethyl)urea
SMILESCc1nc(NC(=O)NCCO)sc1-c1ccc(F)c(S(C)(=O)=O)c1
InChIInChI=1S/C14H16FN3O4S2/c1-8-12(23-14(17-8)18-13(20)16-5-6-19)9-3-4-10(15)11(7-9)24(2,21)22/h3-4,7,19H,5-6H2,1-2H3,(H2,16,17,18,20)
InChIKeyZCYBMALCHMTYIF-UHFFFAOYSA-N
XLogP1.77
TPSA108.39 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-fluoro-3-methylsulfonylphenyl)-4-methyl-1,3-thiazol-2-yl]-3-(2-hydroxyethyl)urea?
The IUPAC name of 1-[5-(4-fluoro-3-methylsulfonylphenyl)-4-methyl-1,3-thiazol-2-yl]-3-(2-hydroxyethyl)urea (CID 11773185) is 1-[5-(4-fluoro-3-methylsulfonylphenyl)-4-methyl-1,3-thiazol-2-yl]-3-(2-hydroxyethyl)urea.
What is the SMILES notation for 1-[5-(4-fluoro-3-methylsulfonylphenyl)-4-methyl-1,3-thiazol-2-yl]-3-(2-hydroxyethyl)urea?
The canonical SMILES for 1-[5-(4-fluoro-3-methylsulfonylphenyl)-4-methyl-1,3-thiazol-2-yl]-3-(2-hydroxyethyl)urea is Cc1nc(NC(=O)NCCO)sc1-c1ccc(F)c(S(C)(=O)=O)c1.
What is the InChIKey of 1-[5-(4-fluoro-3-methylsulfonylphenyl)-4-methyl-1,3-thiazol-2-yl]-3-(2-hydroxyethyl)urea?
The InChIKey is ZCYBMALCHMTYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O4S2/c1-8-12(23-14(17-8)18-13(20)16-5-6-19)9-3-4-10(15)11(7-9)24(2,21)22/h3-4,7,19H,5-6H2,1-2H3,(H2,16,17,18,20).
What are the key properties of 1-[5-(4-fluoro-3-methylsulfonylphenyl)-4-methyl-1,3-thiazol-2-yl]-3-(2-hydroxyethyl)urea?
1-[5-(4-fluoro-3-methylsulfonylphenyl)-4-methyl-1,3-thiazol-2-yl]-3-(2-hydroxyethyl)urea has a molecular weight of 373.43 g/mol, XLogP of 1.77, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-fluoro-3-methylsulfonylphenyl)-4-methyl-1,3-thiazol-2-yl]-3-(2-hydroxyethyl)urea is sourced from PubChem (CID 11773185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).